This markdown follows differential expression analyses from deseq2_GSE134719.Rmd, deseq2_GSE149739.Rmd, and deseq2_GSE69556.Rmd. DEGs from these markdowns are used as input for signatureSearch. Results are annotated with Drug Repurposing Hub and onSides data.
Data Sets - ’39 / Pre-Cystic P70: GSE149739
- ’19 / Cystic P21: GSE134719
- ’56 / Cystic P28: GSE69556
Load libraries
library(signatureSearch)
library(ggplot2)
library(ggalluvial)
library(readr)
library(signatureSearch)
library(ExperimentHub); library(rhdf5)
library(here)
Pull LINCS data from Experiment Hub
eh <- ExperimentHub()
cmap <- eh[["EH3223"]]; cmap_expr <- eh[["EH3224"]]
lincs <- eh[["EH3226"]]; lincs_expr <- eh[["EH3227"]]
h5ls(lincs)
## group name otype dclass dim
## 0 / assay H5I_DATASET FLOAT 12328 x 45956
## 1 / colnames H5I_DATASET STRING 45956 x 1
## 2 / rownames H5I_DATASET STRING 12328 x 1
db_path <- system.file("extdata", "sample_db.h5", package = "signatureSearch")
ssRun: Wrapper for qsiq(), signature query, using up and down genes, and gess_lincs(), the ‘lincs’ signatureSearch method for gene expression signature search, sorting the results by WTCS and calculating Tau values, and then filtering for inversely related signatures and for kidney cell lines (HA1E and NKDBA) only
ssRun <- function(upgenes, downgenes, cells){
q <- qSig(query = list(upset=as.character(upgenes), downset=as.character(downgenes)), gess_method="LINCS", refdb= lincs)
gess <- gess_lincs(q, sortby="WTCS", tau=TRUE, workers=1)
gess_res <- result(gess)
gess_res <- dplyr::filter(gess_res, WTCS < 0)
if(cells == "kidney"){
gess_kidney <- gess_res %>% dplyr::filter(cell == "HA1E" | cell == "NKDBA")
return(gess_kidney)
}
else{
return(gess_res)
}
}
Load in top up and down DEGs
hom_degs_UP <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_UP_220421.csv"))
hom_degs_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_DOWN_220421.csv"))
Run signatureSearch, filter for kidney cell lines
gess_kidneycells_39 <- ssRun(upgenes = hom_degs_UP$entrezgene_id, downgenes = hom_degs_DOWN$entrezgene_id, cells = "kidney")
## 100 / 100 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database
gess_res_vis(gess_kidneycells_39, drugs = unique(gess_kidneycells_39$pert)[1:20], col = "WTCS")
knitr::kable(gess_kidneycells_39, col.names = colnames(gess_kidneycells_39))
| pert | cell | type | trend | WTCS | WTCS_Pval | WTCS_FDR | NCS | Tau | TauRefSize | NCSct | N_upset | N_downset | t_gn_sym | MOAss | PCIDss |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| etoposide | HA1E | trt_cp | down | -0.4868071 | 0.0000223 | 0.0012714 | -1.8364178 | -99.33066 | 2241 | -1.6417348 | 100 | 100 | ABCB1; ABCC1; ABCC2; ABCC3; ABCG2; APAF1; BAX; CASP2; CASP6; CASP8; CASP9; CDKN1A; CYCS; CYP2E1; CYP3A5; DCK; FAS; H2AFX; KMT2A; LMNB1; MAPK8; MCL1; RB1; TOP2A; TOP2B; TP53 | Topoisomerase inhibitor | 73707602 |
| amsacrine | HA1E | trt_cp | down | -0.4769293 | 0.0000228 | 0.0012714 | -1.7991550 | -98.75056 | 2241 | -1.5002160 | 100 | 100 | ALB; KCNH2; ORM1; TOP2A; TOP2B | Topoisomerase inhibitor | 2179 |
| pyrvinium-pamoate | HA1E | trt_cp | down | -0.4599350 | 0.0000235 | 0.0012714 | -1.7350462 | -99.28603 | 2241 | -1.5591281 | 100 | 100 | AR | AKT inhibitor | 73707397 |
| SA-1919710 | NKDBA | trt_cp | down | -0.4402283 | 0.0000244 | 0.0012714 | -1.4769169 | NA | 229 | -1.2946834 | 100 | 100 | NA | NA | 54668959 |
| TW-37 | HA1E | trt_cp | down | -0.4185416 | 0.0000253 | 0.0012714 | -1.5788949 | -98.48282 | 2241 | -1.3194388 | 100 | 100 | BCL2; BCL2L1; MCL1 | BCL inhibitor | 11455910 |
| terfenadine | HA1E | trt_cp | down | -0.4059475 | 0.0000258 | 0.0012714 | -1.5313850 | -94.28826 | 2241 | -1.2284263 | 100 | 100 | CHRM1; CHRM4; CHRM5; HRH1; KCNH1; KCNH2 | Histamine receptor antagonist | 5405 |
| NSC-663284 | HA1E | trt_cp | down | -0.4045818 | 0.0000259 | 0.0012714 | -1.5262334 | -92.94958 | 2241 | -1.4857490 | 100 | 100 | CDC25A; CDC25B; CDC25C | CDC inhibitor | 379077 |
| BRD-K60870698 | HA1E | trt_cp | down | -0.4005568 | 0.0000261 | 0.0012714 | -1.5110496 | -95.31459 | 2241 | -1.3447834 | 100 | 100 | NA | NA | 3238417 |
| CGP-71683 | HA1E | trt_cp | down | -0.4000399 | 0.0000261 | 0.0012714 | -1.5090993 | -91.65551 | 2241 | -1.2038953 | 100 | 100 | NPY5R | Neuropeptide receptor antagonist | 56668433 |
| BRD-A47816767 | HA1E | trt_cp | down | -0.3949414 | 0.0000263 | 0.0012714 | -1.4898661 | -96.11780 | 2241 | -1.3985359 | 100 | 100 | NA | NA | 2876959 |
| CD-437 | HA1E | trt_cp | down | -0.3897703 | 0.0000265 | 0.0012714 | -1.4703586 | -95.89469 | 2241 | -1.4591912 | 100 | 100 | RARG | Retinoid receptor agonist | 135411 |
| NNC-55-0396 | HA1E | trt_cp | down | -0.3893145 | 0.0000266 | 0.0012714 | -1.4686395 | -91.20928 | 2241 | -1.4253313 | 100 | 100 | CATSPER1; CATSPER2; CATSPER3; CATSPER4 | T-type calcium channel blocker | 9957280 |
| BRD-K92317137 | HA1E | trt_cp | down | -0.3877627 | 0.0000266 | 0.0012714 | -1.4627853 | -96.92102 | 2241 | -0.6857114 | 100 | 100 | NA | NA | 659101 |
| CHEMBL-399379 | NKDBA | trt_cp | down | -0.3869892 | 0.0000267 | 0.0012714 | -1.2983056 | NA | 229 | -0.8698648 | 100 | 100 | NA | NA | 16747776 |
| SA-1459854 | NKDBA | trt_cp | down | -0.3866074 | 0.0000267 | 0.0012714 | -1.2970249 | NA | 229 | -0.8690067 | 100 | 100 | NA | NA | 54660156 |
| thapsigargin | HA1E | trt_cp | down | -0.3827852 | 0.0000269 | 0.0012714 | -1.4440082 | -93.48505 | 2241 | -1.4489538 | 100 | 100 | ATP2A1; ATP2A2; ATP2A3; ATP2C1; ATP2C2 | ATPase inhibitor | 5353993 |
| SA-1922659 | NKDBA | trt_cp | down | -0.3774678 | 0.0000271 | 0.0012714 | -1.2663623 | NA | 229 | -1.1721838 | 100 | 100 | NA | NA | 54668627 |
| rhodomyrtoxin-b | HA1E | trt_cp | down | -0.3771924 | 0.0000271 | 0.0012714 | -1.4229104 | -87.99643 | 2241 | -1.5074657 | 100 | 100 | NA | sodium fluorescein uptake inhibitor | 3270699 |
| AG-957 | HA1E | trt_cp | down | -0.3745827 | 0.0000272 | 0.0012714 | -1.4130656 | -91.38777 | 2241 | 0.0000000 | 100 | 100 | ABL1; EGFR | Protein tyrosine kinase inhibitor | 2064 |
| MW-STK33-2A | NKDBA | trt_cp | down | -0.3744920 | 0.0000272 | 0.0012714 | -1.2563789 | NA | 229 | -0.7378034 | 100 | 100 | NA | NA | 709391 |
| RS-17053 | HA1E | trt_cp | down | -0.3743746 | 0.0000272 | 0.0012714 | -1.4122803 | -92.05712 | 2241 | -1.2244105 | 100 | 100 | ADRA1A; ADRA1D | Adrenergic receptor antagonist | 3894573 |
| BRD-K73610817 | HA1E | trt_cp | down | -0.3732910 | 0.0000273 | 0.0012714 | -1.4081926 | -93.21731 | 2241 | -1.4116491 | 100 | 100 | NA | NA | 3426979 |
| IKK-2-inhibitor-V | HA1E | trt_cp | down | -0.3726417 | 0.0000273 | 0.0012714 | -1.4057433 | -88.88889 | 2241 | -1.1115169 | 100 | 100 | IKBKB | IKK inhibitor; NFkB pathway inhibitor | 5081913 |
| BRD-K05153001 | HA1E | trt_cp | down | -0.3723020 | 0.0000273 | 0.0012714 | -1.4044616 | -87.72869 | 2241 | -1.4048545 | 100 | 100 | NA | NA | 665013 |
| methylene-blue | HA1E | trt_cp | down | -0.3680950 | 0.0000275 | 0.0012714 | -1.3885915 | -93.08344 | 2241 | -1.2769866 | 100 | 100 | ACHE; MAPT | Guanylyl cyclase inhibitor; Monoamine oxidase inhibitor; Nitric oxide production inhibitor; Tau aggregation inhibitor | 4139 |
| pyrvinium-pamoate | NKDBA | trt_cp | down | -0.3673161 | 0.0000275 | 0.0012714 | -1.2323048 | NA | 229 | -1.5591281 | 100 | 100 | AR | AKT inhibitor | 73707397 |
| irinotecan | HA1E | trt_cp | down | -0.3652801 | 0.0000276 | 0.0012714 | -1.3779726 | -96.20705 | 2241 | -1.1134668 | 100 | 100 | ABCB1; ABCC2; ABCG2; CES2; CES5A; CYP3A5; TOP1; TOP1MT | Topoisomerase inhibitor | 60838 |
| LY-294002 | NKDBA | trt_cp | down | -0.3634064 | 0.0000278 | 0.0012714 | -1.2191880 | NA | 229 | -0.8124416 | 100 | 100 | AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1 | DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor | 3973 |
| camptothecin | HA1E | trt_cp | down | -0.3620031 | 0.0000278 | 0.0012714 | -1.3656106 | -91.74476 | 2241 | -0.4162621 | 100 | 100 | HIF1A; TOP1 | Topoisomerase inhibitor | 2538 |
| SKI-II | NKDBA | trt_cp | down | -0.3617020 | 0.0000278 | 0.0012714 | -1.2134700 | NA | 229 | -0.0331254 | 100 | 100 | SPHK1 | NA | 753704 |
| NSC-3852 | HA1E | trt_cp | down | -0.3615493 | 0.0000278 | 0.0012714 | -1.3638984 | -89.82597 | 2241 | -1.0979054 | 100 | 100 | HDAC1 | HDAC inhibitor | 19103 |
| SA-1458163 | NKDBA | trt_cp | down | -0.3607646 | 0.0000279 | 0.0012714 | -1.2103252 | NA | 229 | -0.8109179 | 100 | 100 | NA | NA | 54658692 |
| JAK3-inhibitor-VI | HA1E | trt_cp | down | -0.3602430 | 0.0000279 | 0.0012714 | -1.3589708 | -91.92325 | 2241 | -1.1771555 | 100 | 100 | NA | JAK inhibitor | 9947841 |
| perhexiline | HA1E | trt_cp | down | -0.3600280 | 0.0000279 | 0.0012714 | -1.3581595 | -87.90718 | 2241 | -1.3863599 | 100 | 100 | CPT1A; CPT2; KCNH2 | Carnitine palmitoyltransferase inhibitor | 5284439 |
| geldanamycin | NKDBA | trt_cp | down | -0.3597005 | 0.0000279 | 0.0012714 | -1.2067552 | NA | 229 | 0.0000000 | 100 | 100 | HSP90AA1; HSP90AB1; HSP90B1 | HSP inhibitor | 3460 |
| BRD-K21064560 | HA1E | trt_cp | down | -0.3595615 | 0.0000279 | 0.0012714 | -1.3563997 | -84.29273 | 2241 | -0.7744561 | 100 | 100 | NA | NA | 16759163 |
| dactinomycin | HA1E | trt_cp | down | -0.3582950 | 0.0000280 | 0.0012714 | -1.3516223 | -89.06738 | 2241 | 0.0000000 | 100 | 100 | POLR2A; TOP2A; TOP2B | RNA polymerase inhibitor | 457193 |
| lylamine | HA1E | trt_cp | down | -0.3554240 | 0.0000283 | 0.0012714 | -1.3407918 | -84.64971 | 2241 | -0.8998443 | 100 | 100 | CNR1 | Cannabinoid receptor agonist | 62034 |
| PCI-24781 | HA1E | trt_cp | down | -0.3550670 | 0.0000283 | 0.0012714 | -1.3394451 | -89.55823 | 2241 | -1.2527447 | 100 | 100 | NA | NA | 11749858 |
| ixazomib | NKDBA | trt_cp | down | -0.3533653 | 0.0000285 | 0.0012714 | -1.1855011 | NA | 229 | -1.2376759 | 100 | 100 | PSMB5 | NA | 25183872 |
| SA-1459234 | NKDBA | trt_cp | down | -0.3509703 | 0.0000289 | 0.0012714 | -1.1774664 | NA | 229 | -0.7889025 | 100 | 100 | NA | NA | 54657607 |
| niclosamide | HA1E | trt_cp | down | -0.3496072 | 0.0000290 | 0.0012714 | -1.3188486 | -84.56046 | 2241 | -1.1260467 | 100 | 100 | STAT3 | DNA replication inhibitor; STAT inhibitor | 4477 |
| PD-198306 | HA1E | trt_cp | down | -0.3483597 | 0.0000297 | 0.0012714 | -1.3141426 | -87.72869 | 2241 | -1.1234965 | 100 | 100 | MAP2K1; MAP2K2; MAPK3 | MAP kinase inhibitor; MEK inhibitor | 9956637 |
| MG-132 | NKDBA | trt_cp | down | -0.3482001 | 0.0000297 | 0.0012714 | -1.1681727 | NA | 229 | -1.1925714 | 100 | 100 | PSMB1 | Proteasome inhibitor | 462382 |
| BAY-11-7082 | HA1E | trt_cp | down | -0.3477551 | 0.0000297 | 0.0012714 | -1.3118617 | -85.76528 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 5353431 |
| chlorambucil | HA1E | trt_cp | down | -0.3465515 | 0.0000299 | 0.0012714 | -1.3073215 | -94.46676 | 2241 | -0.0195342 | 100 | 100 | NA | DNA inhibitor | 2708 |
| SA-84869 | NKDBA | trt_cp | down | -0.3454525 | 0.0000304 | 0.0012714 | -1.1589546 | NA | 229 | -1.0208108 | 100 | 100 | NA | NA | 44492693 |
| panobinostat | NKDBA | trt_cp | down | -0.3444832 | 0.0000307 | 0.0012714 | -1.1557028 | NA | 229 | -1.0232023 | 100 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 6918837 |
| niguldipine | HA1E | trt_cp | down | -0.3435237 | 0.0000307 | 0.0012714 | -1.2958995 | -87.68407 | 2241 | -1.3150547 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; CACNA1C | Adrenergic receptor antagonist; Calcium channel blocker | 71317558 |
| berbamine | HA1E | trt_cp | down | -0.3433573 | 0.0000314 | 0.0012714 | -1.2952717 | -89.37974 | 2241 | -1.1006220 | 100 | 100 | CALM1 | Calmodulin antagonist | 275182 |
| wortmannin | NKDBA | trt_cp | down | -0.3424190 | 0.0000319 | 0.0012714 | -1.1487776 | NA | 229 | -1.0738443 | 100 | 100 | ATM; ATR; MTOR; MYLK; PI4KA; PI4KB; PIK3C2B; PIK3C3; PIK3CA; PIK3CD; PIK3CG; PIK3R1; PIK3R4; PLK1; PLK2; PLK3; PRKDC | PI3K inhibitor | 312145 |
| vorinostat | NKDBA | trt_cp | down | -0.3423947 | 0.0000319 | 0.0012714 | -1.1486962 | NA | 229 | -1.1540461 | 100 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 5311 |
| BRD-K67774729 | HA1E | trt_cp | down | -0.3416256 | 0.0000319 | 0.0012714 | -1.2887390 | -88.79964 | 2241 | -0.0271271 | 100 | 100 | NA | NA | 54645916 |
| CGK-733 | HA1E | trt_cp | down | -0.3382592 | 0.0000352 | 0.0013085 | -1.2760399 | -82.64168 | 2241 | -1.2656002 | 100 | 100 | ATM; ATR | ATR kinase inhibitor | 6605258 |
| tyrphostin-AG-555 | HA1E | trt_cp | down | -0.3342903 | 0.0000407 | 0.0014142 | -1.2610674 | -82.24007 | 2241 | 0.0000000 | 100 | 100 | CDK2; EGFR | EGFR inhibitor | 5328770 |
| BRD-K11533227 | HA1E | trt_cp | down | -0.3341740 | 0.0000407 | 0.0014142 | -1.2606290 | -97.85810 | 2241 | -0.6312668 | 100 | 100 | NA | NA | NotFound |
| ER-27319 | HA1E | trt_cp | down | -0.3317938 | 0.0000438 | 0.0014707 | -1.2516500 | -82.68630 | 2241 | 0.0000000 | 100 | 100 | NA | Mediator release inhibitor; SYK inhibitor | 9799509 |
| trichostatin-a | NKDBA | trt_cp | down | -0.3314819 | 0.0000458 | 0.0015039 | -1.1120847 | NA | 229 | -1.0551294 | 100 | 100 | HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | CDK activator; HDAC inhibitor; ID1 inhibitor | 444732 |
| AM-404 | HA1E | trt_cp | down | -0.3303096 | 0.0000480 | 0.0015433 | -1.2460508 | -91.29853 | 2241 | 0.0000000 | 100 | 100 | CNR1; CNR2; FAAH; TRPV1 | Cyclooxygenase inhibitor; FAAH inhibitor; TRPV antagonist | 6604822 |
| alprenolol | HA1E | trt_cp | down | -0.3296228 | 0.0000480 | 0.0015433 | -1.2434601 | -90.80768 | 2241 | 0.0000000 | 100 | 100 | ADCY10; ADRB1; ADRB2; ADRB3 | Adrenergic receptor antagonist | 2119 |
| scriptaid | HA1E | trt_cp | down | -0.3293475 | 0.0000503 | 0.0015843 | -1.2424214 | -84.96207 | 2241 | -1.2584441 | 100 | 100 | HDAC1; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 5186 |
| NTNCB | HA1E | trt_cp | down | -0.3282229 | 0.0000531 | 0.0016400 | -1.2381791 | -76.92994 | 2241 | -0.0353765 | 100 | 100 | NPY5R | Neuropeptide receptor antagonist | 9982218 |
| H-89 | HA1E | trt_cp | down | -0.3267715 | 0.0000560 | 0.0016923 | -1.2327039 | -81.61535 | 2241 | -1.0146206 | 100 | 100 | GSG2; KCNA2; KCNA3; KCNA5; KCNAB2; KCNC1; KCNC2; KCNC3; KCNE1; KCNE2; KCNE3; KCNE4; KCNH1; KCNH2; KCNQ1; KCNQ2; KCNQ3; KCNQ5; KCNS3; PKIA; PRKACA | PKA inhibitor | 449241 |
| avrainvillamide-analog-3 | HA1E | trt_cp | down | -0.3258991 | 0.0000594 | 0.0017635 | -1.2294126 | -86.65774 | 2241 | -0.9940010 | 100 | 100 | NPM1 | nucleophosmin inhibitor | 73707609 |
| trichostatin-a | HA1E | trt_cp | down | -0.3251911 | 0.0000629 | 0.0018210 | -1.2267418 | -78.93797 | 2241 | -1.0551294 | 100 | 100 | HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | CDK activator; HDAC inhibitor; ID1 inhibitor | 444732 |
| cucurbitacin-i | HA1E | trt_cp | down | -0.3244809 | 0.0000671 | 0.0019131 | -1.2240628 | -71.39670 | 2241 | -0.9822442 | 100 | 100 | JAK2; STAT3 | JAK inhibitor; Lipocortin synthesis stimulant; STAT inhibitor | 73707401 |
| FCCP | HA1E | trt_cp | down | -0.3228046 | 0.0000720 | 0.0020066 | -1.2177391 | -83.40027 | 2241 | -1.0797825 | 100 | 100 | NA | Mitochondrial oxidative phosphorylation uncoupler | 3330 |
| cercosporin | HA1E | trt_cp | down | -0.3224546 | 0.0000774 | 0.0021165 | -1.2164188 | -84.24810 | 2241 | -1.2184113 | 100 | 100 | NA | Photoactivated toxin | 91617 |
| mitomycin-c | HA1E | trt_cp | down | -0.3221736 | 0.0000774 | 0.0021165 | -1.2153589 | -88.48728 | 2241 | -0.8201074 | 100 | 100 | NA | DNA alkylating agent; DNA inhibitor; DNA synthesis inhibitor | 5746 |
| CMPD-1 | HA1E | trt_cp | down | -0.3207203 | 0.0000829 | 0.0022255 | -1.2098763 | -82.46319 | 2241 | -0.0241975 | 100 | 100 | GNRHR; MAPK14 | p38 MAPK inhibitor | 11382492 |
| nortriptyline | HA1E | trt_cp | down | -0.3197447 | 0.0000892 | 0.0023409 | -1.2061962 | -79.60732 | 2241 | -1.0465753 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; ADRB3; CHRM1; CHRM4; CHRM5; HRH1; HTR6; KCNJ10; PGRMC1; PIK3CD; SIGMAR1; SLC6A2; SLC6A4 | Tricyclic antidepressant | 441358 |
| brefeldin-a | HA1E | trt_cp | down | -0.3179295 | 0.0001033 | 0.0026249 | -1.1993487 | -86.39000 | 2241 | -1.1685998 | 100 | 100 | ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A | Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor | 5287620 |
| PSB-069 | HA1E | trt_cp | down | -0.3178956 | 0.0001033 | 0.0026249 | -1.1992207 | -93.84203 | 2241 | 0.0000000 | 100 | 100 | ENTPD1; ENTPD2; ENTPD3 | NTPDase inhibitor | 24868311 |
| SA-425500 | NKDBA | trt_cp | down | -0.3177250 | 0.0001033 | 0.0026249 | -1.0659321 | NA | 229 | 0.0000000 | 100 | 100 | NA | NA | 44498587 |
| ixazomib | HA1E | trt_cp | down | -0.3175344 | 0.0001033 | 0.0026249 | -1.1978581 | -85.58679 | 2241 | -1.2376759 | 100 | 100 | PSMB5 | NA | 25183872 |
| vinpocetine | HA1E | trt_cp | down | -0.3150868 | 0.0001317 | 0.0031740 | -1.1886249 | -91.34315 | 2241 | 0.0000000 | 100 | 100 | PDE1A; PDE1C; SCN10A | Phosphodiesterase inhibitor; Sodium channel blocker | 5673 |
| 15-delta-prostaglandin-j2 | HA1E | trt_cp | down | -0.3149812 | 0.0001317 | 0.0031740 | -1.1882264 | -85.63141 | 2241 | 0.0000000 | 100 | 100 | NR1H4; PPARG | PPAR receptor agonist | 6375741 |
| SB-225002 | HA1E | trt_cp | down | -0.3149142 | 0.0001317 | 0.0031740 | -1.1879736 | -84.60509 | 2241 | 0.0000000 | 100 | 100 | CXCR2 | CC chemokine receptor antagonist | 3854666 |
| WR-216174 | HA1E | trt_cp | down | -0.3139955 | 0.0001429 | 0.0033629 | -1.1845079 | -64.88175 | 2241 | -0.0287141 | 100 | 100 | NA | PFMRK inhibitor | 10405323 |
| BRD-K07079548 | HA1E | trt_cp | down | -0.3134520 | 0.0001554 | 0.0035934 | -1.1824578 | -83.40027 | 2241 | -0.7483347 | 100 | 100 | NA | NA | 11957524 |
| BRD-K01121114 | HA1E | trt_cp | down | -0.3118961 | 0.0001678 | 0.0038026 | -1.1765884 | -86.83623 | 2241 | -0.9437257 | 100 | 100 | NA | NA | 49843203 |
| SA-1921574 | NKDBA | trt_cp | down | -0.3111083 | 0.0001829 | 0.0040775 | -1.0437337 | NA | 229 | -0.4148821 | 100 | 100 | NA | NA | 54669029 |
| menadione | HA1E | trt_cp | down | -0.3105738 | 0.0001829 | 0.0040775 | -1.1716000 | -71.88755 | 2241 | -0.8253642 | 100 | 100 | AOX1; BGLAP; CDC25A; F10; F2; F7; F9; GGCX; NQO1; NQO2; PKM; PROC; PROS1; PROZ; RP11-196G11.1; VKORC1; VKORC1L1 | Mitochondrial DNA polymerase inhibitor; Phosphatase inhibitor | 4055 |
| isonicotinohydroxamic-acid | HA1E | trt_cp | down | -0.3102659 | 0.0002002 | 0.0044065 | -1.1704384 | -94.15440 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 72967 |
| chelidonine | HA1E | trt_cp | down | -0.3101392 | 0.0002002 | 0.0044065 | -1.1699604 | -75.94824 | 2241 | -1.0253640 | 100 | 100 | NA | Tubulin inhibitor | 10147 |
| SA-1919877 | NKDBA | trt_cp | down | -0.3099084 | 0.0002002 | 0.0044065 | -1.0397083 | NA | 229 | -0.6966045 | 100 | 100 | NA | NA | 54667404 |
| estradiol-cypionate | HA1E | trt_cp | down | -0.3097423 | 0.0002002 | 0.0044065 | -1.1684635 | -88.79964 | 2241 | 0.0000000 | 100 | 100 | ESR1 | Estrogen receptor agonist | 9403 |
| chlorphenesin-carbamate | HA1E | trt_cp | down | -0.3096906 | 0.0002002 | 0.0044065 | -1.1682684 | -88.44266 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 2724 |
| sulconazole | HA1E | trt_cp | down | -0.3072641 | 0.0002626 | 0.0055103 | -1.1591145 | -88.21954 | 2241 | -1.1626380 | 100 | 100 | NA | Sterol demethylase inhibitor | 65495 |
| BRD-K48974000 | HA1E | trt_cp | down | -0.3071407 | 0.0002626 | 0.0055103 | -1.1586491 | -83.04328 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1398345 |
| vorinostat | HA1E | trt_cp | down | -0.3064451 | 0.0002885 | 0.0059500 | -1.1560249 | -76.97456 | 2241 | -1.1540461 | 100 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 5311 |
| BL003-049-HDAC3 | HA1E | trt_cp | down | -0.3063492 | 0.0002885 | 0.0059500 | -1.1556632 | -89.11200 | 2241 | -0.9035696 | 100 | 100 | NA | NA | NotFound |
| BRD-K19876534 | HA1E | trt_cp | down | -0.3047580 | 0.0003168 | 0.0064300 | -1.1496608 | -85.40830 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 54646516 |
| benzyl-quinazolin-4-yl-amine | HA1E | trt_cp | down | -0.3041309 | 0.0003477 | 0.0068992 | -1.1472951 | -83.40027 | 2241 | -0.9588308 | 100 | 100 | EGFR | EGFR inhibitor | 6603129 |
| rottlerin | HA1E | trt_cp | down | -0.3040668 | 0.0003477 | 0.0068992 | -1.1470534 | -80.14279 | 2241 | -0.6342926 | 100 | 100 | KCNH2; TGM2 | MAP kinase inhibitor; Protein kinase inhibitor | 5281847 |
| thiothixene | HA1E | trt_cp | down | -0.3032323 | 0.0003811 | 0.0074521 | -1.1439052 | -75.81437 | 2241 | 0.0000000 | 100 | 100 | DRD1; HRH1 | Dopamine receptor antagonist | 6444849 |
| L-690488 | HA1E | trt_cp | down | -0.3029151 | 0.0003811 | 0.0074521 | -1.1427084 | -84.78358 | 2241 | -1.1025854 | 100 | 100 | IMPA1 | Inositol monophosphatase inhibitor | 5132514 |
| BRD-K26767475 | HA1E | trt_cp | down | -0.3011925 | 0.0004571 | 0.0086553 | -1.1362104 | -70.72735 | 2241 | 0.0215711 | 100 | 100 | NA | NA | 44142043 |
| SA-427604 | NKDBA | trt_cp | down | -0.3007537 | 0.0004571 | 0.0086553 | -1.0089951 | NA | 229 | -0.6760267 | 100 | 100 | NA | NA | 44620034 |
| SA-1920013 | NKDBA | trt_cp | down | -0.3005133 | 0.0004571 | 0.0086553 | -1.0081885 | NA | 229 | -0.9514507 | 100 | 100 | NA | NA | 54666569 |
| L-741742 | HA1E | trt_cp | down | -0.2994600 | 0.0005486 | 0.0100639 | -1.1296746 | -82.82017 | 2241 | -0.0132013 | 100 | 100 | DRD3; DRD4; SCN1A; SCN3A | Dopamine receptor antagonist | 133008 |
| SR-27897 | HA1E | trt_cp | down | -0.2993846 | 0.0005486 | 0.0100639 | -1.1293903 | -84.91745 | 2241 | 0.0000000 | 100 | 100 | CCKAR | CCK receptor antagonist | 122077 |
| BRD-A06276885 | HA1E | trt_cp | down | -0.2989631 | 0.0005486 | 0.0100639 | -1.1278002 | -66.35431 | 2241 | -0.0338340 | 100 | 100 | NA | NA | 4257102 |
| COL-3 | HA1E | trt_cp | down | -0.2979491 | 0.0006023 | 0.0108635 | -1.1239751 | -78.04552 | 2241 | -1.3266836 | 100 | 100 | NA | NA | 73707525 |
| SA-96805 | NKDBA | trt_cp | down | -0.2963072 | 0.0007223 | 0.0126542 | -0.9940778 | NA | 229 | -0.6660321 | 100 | 100 | NA | NA | 44497527 |
| mebendazole | HA1E | trt_cp | down | -0.2956699 | 0.0007223 | 0.0126542 | -1.1153772 | -68.76394 | 2241 | 0.0000000 | 100 | 100 | TUBA1A; TUBB; TUBB4B | Tubulin inhibitor | 4030 |
| KF-38789 | HA1E | trt_cp | down | -0.2954949 | 0.0007895 | 0.0136402 | -1.1147168 | -64.16778 | 2241 | 0.0000000 | 100 | 100 | SELP | P-selectin inhibitor | 5310849 |
| tacedinaline | HA1E | trt_cp | down | -0.2949961 | 0.0007895 | 0.0136402 | -1.1128351 | -66.57742 | 2241 | -1.2053505 | 100 | 100 | HDAC1 | HDAC inhibitor | 2746 |
| PHA-665752 | HA1E | trt_cp | down | -0.2925523 | 0.0009442 | 0.0156712 | -1.1036162 | -54.70772 | 2241 | 0.0000000 | 100 | 100 | BMP2K; CAMKK1; CAMKK2; DDR1; GRK7; HIPK1; HIPK3; MAP3K19; MAP4K5; MET; SRPK1; TAOK3 | c-Met inhibitor | 10461815 |
| mevastatin | HA1E | trt_cp | down | -0.2915635 | 0.0010317 | 0.0168604 | -1.0998862 | -66.84516 | 2241 | -0.6060639 | 100 | 100 | HMGCR | HMGCR inhibitor | 29922189 |
| SA-427636 | NKDBA | trt_cp | down | -0.2912867 | 0.0011282 | 0.0180457 | -0.9772344 | NA | 229 | -0.6547470 | 100 | 100 | NA | NA | 44616599 |
| purvalanol-a | HA1E | trt_cp | down | -0.2899360 | 0.0012294 | 0.0193288 | -1.0937466 | -67.60375 | 2241 | -1.3397013 | 100 | 100 | CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC | CDK inhibitor; DYRK inhibitor | 456214 |
| riboflavin | HA1E | trt_cp | down | -0.2890584 | 0.0013421 | 0.0207597 | -1.0904358 | -80.58902 | 2241 | 0.0000000 | 100 | 100 | ACP1; ACP5; ACP6; ACPP; ACPT; BLVRB; ENPP1; FLAD1; RFK; SLC52A3 | Vitamin B | 493570 |
| BRD-A76641868 | HA1E | trt_cp | down | -0.2888990 | 0.0013421 | 0.0207597 | -1.0898346 | -65.55109 | 2241 | -0.8070338 | 100 | 100 | NA | NA | 663281 |
| YM-298198 | HA1E | trt_cp | down | -0.2874928 | 0.0015986 | 0.0240087 | -1.0845299 | -78.89335 | 2241 | 0.0000000 | 100 | 100 | GRM1 | Glutamate receptor antagonist | 9819432 |
| AMG-9810 | HA1E | trt_cp | down | -0.2867823 | 0.0015986 | 0.0240087 | -1.0818495 | -72.73539 | 2241 | 0.0000000 | 100 | 100 | TRPV1 | TRPV antagonist | 680502 |
| AG-592 | HA1E | trt_cp | down | -0.2864199 | 0.0017460 | 0.0257514 | -1.0804824 | -66.80054 | 2241 | -0.0277664 | 100 | 100 | NA | Tyrosine kinase inhibitor | NotFound |
| proadifen | HA1E | trt_cp | down | -0.2854158 | 0.0019031 | 0.0276776 | -1.0766949 | -84.69433 | 2241 | -0.0189514 | 100 | 100 | NOS1 | Nitric oxide synthase inhibitor | 4910 |
| forskolin | NKDBA | trt_cp | down | -0.2842595 | 0.0020710 | 0.0295577 | -0.9536589 | NA | 229 | 0.0000000 | 100 | 100 | ADCY1; ADCY2; ADCY4; ADCY5; ADCY6; ADCY7; GNAL; GNAS | Adenylyl cyclase activator | 3413 |
| erythrosine | HA1E | trt_cp | down | -0.2840515 | 0.0020710 | 0.0295577 | -1.0715479 | -62.60598 | 2241 | 0.0000000 | 100 | 100 | NA | Coloring agent | 12961638 |
| CAM-9-027-3 | HA1E | trt_cp | down | -0.2832044 | 0.0022521 | 0.0315933 | -1.0683526 | -77.86702 | 2241 | -0.9892875 | 100 | 100 | NA | NA | 49849912 |
| EO-1428 | HA1E | trt_cp | down | -0.2830270 | 0.0022521 | 0.0315933 | -1.0676834 | -51.67336 | 2241 | 0.0000000 | 100 | 100 | MAPK11; MAPK14 | p38 MAPK inhibitor | 9801969 |
| vinblastine | HA1E | trt_cp | down | -0.2814306 | 0.0026642 | 0.0360000 | -1.0616611 | -58.32218 | 2241 | -0.0325105 | 100 | 100 | ABCB1; ABCB4; ABCC2; JUN; STMN4; TUBA1A; TUBB; TUBD1; TUBE1; TUBG1 | Microtubule inhibitor; Tubulin inhibitor | 5667 |
| ARP-101 | HA1E | trt_cp | down | -0.2810529 | 0.0026642 | 0.0360000 | -1.0602361 | -65.32798 | 2241 | -0.7955038 | 100 | 100 | NA | NA | 11292680 |
| albendazole | HA1E | trt_cp | down | -0.2806278 | 0.0026642 | 0.0360000 | -1.0586327 | -76.88532 | 2241 | 0.0412884 | 100 | 100 | CYP1A2; CYP2J2; TUBA1A; TUBB; TUBB4B | Anthelmintic; Tubulin inhibitor | 2082 |
| olvanil | HA1E | trt_cp | down | -0.2794845 | 0.0031381 | 0.0409008 | -1.0543197 | -54.70772 | 2241 | 0.0000000 | 100 | 100 | CNR1; GPR119; TRPV1 | TRPV agonist | 5808649 |
| penitrem-a | HA1E | trt_cp | down | -0.2778888 | 0.0034056 | 0.0436193 | -1.0483000 | -50.95939 | 2241 | 0.0000000 | 100 | 100 | KCNMA1 | Potassium channel blocker | 4732 |
| T-98475 | HA1E | trt_cp | down | -0.2770120 | 0.0036926 | 0.0464162 | -1.0449924 | -64.61401 | 2241 | -1.0486581 | 100 | 100 | GNRH1; GNRHR | Gonadotropin releasing factor hormone receptor antagonist | 9874838 |
| BRD-K69304050 | HA1E | trt_cp | down | -0.2768755 | 0.0036926 | 0.0464162 | -1.0444775 | -70.95047 | 2241 | -0.0115978 | 100 | 100 | NA | NA | 25243777 |
| ISOX | HA1E | trt_cp | down | -0.2766693 | 0.0036926 | 0.0464162 | -1.0436996 | -80.09817 | 2241 | -0.9542200 | 100 | 100 | HDAC6 | HDAC inhibitor | 24951314 |
| BAY-59-3074 | HA1E | trt_cp | down | -0.2763870 | 0.0040006 | 0.0495024 | -1.0426348 | -78.62561 | 2241 | 0.0000000 | 100 | 100 | CNR1; CNR2 | Cannabinoid receptor partial agonist | 10479060 |
| BRD-K83194053 | HA1E | trt_cp | down | -0.2759392 | 0.0040006 | 0.0495024 | -1.0409456 | -69.92414 | 2241 | -0.9487050 | 100 | 100 | NA | NA | 23631972 |
| L-168049 | HA1E | trt_cp | down | -0.2752765 | 0.0043300 | 0.0526425 | -1.0384455 | -79.56270 | 2241 | -1.0428034 | 100 | 100 | GCGR | Glucagon receptor antagonist | 5311276 |
| cyclosporin-a | HA1E | trt_cp | down | -0.2750893 | 0.0043300 | 0.0526425 | -1.0377395 | -51.98572 | 2241 | -0.0415096 | 100 | 100 | ABCB11; CAMLG; CYP3A5; CYP3A7; FPR1; PPIA; PPID; PPIF; PPP3CA; PPP3R2; SLC10A1; SLCO1B1; SLCO1B3 | Calcineurin inhibitor | 16404350 |
| BRD-K26510616 | HA1E | trt_cp | down | -0.2750416 | 0.0043300 | 0.0526425 | -1.0375592 | -61.44578 | 2241 | -0.9292991 | 100 | 100 | NA | NA | NotFound |
| BRD-K87657228 | HA1E | trt_cp | down | -0.2746279 | 0.0043300 | 0.0526425 | -1.0359986 | -80.41053 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44229067 |
| tetrindole | HA1E | trt_cp | down | -0.2742268 | 0.0046813 | 0.0558790 | -1.0344857 | -61.98126 | 2241 | -1.0377718 | 100 | 100 | MAOA | Monoamine oxidase inhibitor | 160019 |
| DR-2313 | HA1E | trt_cp | down | -0.2729007 | 0.0050660 | 0.0594066 | -1.0294830 | -75.23427 | 2241 | -0.8342344 | 100 | 100 | PARP1; PARP3 | PARP inhibitor | 135522417 |
| clebopride | HA1E | trt_cp | down | -0.2728233 | 0.0050660 | 0.0594066 | -1.0291912 | -59.70549 | 2241 | -0.0138308 | 100 | 100 | ACHE | Dopamine receptor antagonist | 2780 |
| tyrphostin-AG-556 | HA1E | trt_cp | down | -0.2709493 | 0.0059111 | 0.0668922 | -1.0221216 | -61.80277 | 2241 | -0.9562694 | 100 | 100 | EGFR | EGFR inhibitor | 2059 |
| cetirizine | HA1E | trt_cp | down | -0.2702056 | 0.0063767 | 0.0711105 | -1.0193163 | -61.17805 | 2241 | 0.0000000 | 100 | 100 | HRH1; IL8 | Histamine receptor antagonist | 2678 |
| SA-1921617 | NKDBA | trt_cp | down | -0.2699104 | 0.0063767 | 0.0711105 | -0.9055195 | NA | 229 | -0.5547265 | 100 | 100 | NA | NA | 54666572 |
| methylergometrine | HA1E | trt_cp | down | -0.2693469 | 0.0068820 | 0.0756626 | -1.0160769 | -75.50201 | 2241 | 0.0000000 | 100 | 100 | DRD1; HTR1E; HTR1F; HTR2B | Dopamine receptor antagonist; Serotonin receptor antagonist | 4140 |
| GW-4064 | HA1E | trt_cp | down | -0.2681983 | 0.0074167 | 0.0800665 | -1.0117437 | -76.57296 | 2241 | -0.3589385 | 100 | 100 | NR1H4 | FXR agonist | 9893571 |
| SA-1456195 | NKDBA | trt_cp | down | -0.2676031 | 0.0074167 | 0.0800665 | -0.8977785 | NA | 229 | -0.6015116 | 100 | 100 | NA | NA | 54657953 |
| Y-27152 | HA1E | trt_cp | down | -0.2675943 | 0.0074167 | 0.0800665 | -1.0094655 | -67.64837 | 2241 | 0.0000000 | 100 | 100 | ABCC9; KCNJ8 | Potassium channel activator | 6918184 |
| BRD-K27484191 | HA1E | trt_cp | down | -0.2672655 | 0.0079852 | 0.0848084 | -1.0082249 | -49.48684 | 2241 | -0.9251068 | 100 | 100 | NA | NA | 663290 |
| BRD-A89208012 | HA1E | trt_cp | down | -0.2671306 | 0.0079852 | 0.0848084 | -1.0077163 | -56.49264 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 6071382 |
| fisetinidol | HA1E | trt_cp | down | -0.2668382 | 0.0079852 | 0.0848084 | -1.0066129 | -59.08077 | 2241 | 0.8752271 | 100 | 100 | NA | NA | 442397 |
| SB-216763 | HA1E | trt_cp | down | -0.2665512 | 0.0079852 | 0.0848084 | -1.0055303 | -66.71129 | 2241 | 0.0000000 | 100 | 100 | CDK2; GSK3A; GSK3B | Glycogen synthase kinase inhibitor | 176158 |
| BRD-K71835137 | HA1E | trt_cp | down | -0.2655382 | 0.0085974 | 0.0897549 | -1.0017092 | -78.22401 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 2778741 |
| caffeic-acid | HA1E | trt_cp | down | -0.2653326 | 0.0092511 | 0.0950465 | -1.0009335 | -53.14592 | 2241 | -0.8298760 | 100 | 100 | ALOX5; MIF; RELA; TNF | HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor | 689043 |
| SA-247636 | NKDBA | trt_cp | down | -0.2645311 | 0.0092511 | 0.0950465 | -0.8874723 | NA | 229 | -0.9372323 | 100 | 100 | NA | NA | 44507299 |
| SA-432137 | NKDBA | trt_cp | down | -0.2633922 | 0.0106731 | 0.1062589 | -0.8836516 | NA | 229 | -0.5920466 | 100 | 100 | NA | NA | 44491516 |
| KUC111774N | HA1E | trt_cp | down | -0.2632298 | 0.0106731 | 0.1062589 | -0.9930010 | -51.85185 | 2241 | -1.3505880 | 100 | 100 | NA | NA | 12387471 |
| BRD-K13842623 | HA1E | trt_cp | down | -0.2621773 | 0.0114617 | 0.1122384 | -0.9890304 | -63.36457 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44142063 |
| clomipramine | HA1E | trt_cp | down | -0.2619458 | 0.0114617 | 0.1122384 | -0.9881573 | -65.10486 | 2241 | 0.0000000 | 100 | 100 | HTR2B; SLC6A2; SLC6A3; SLC6A4 | Serotonin transporter inhibitor (SERT) | 2801 |
| SA-1462246 | NKDBA | trt_cp | down | -0.2616138 | 0.0114617 | 0.1122384 | -0.8776851 | NA | 229 | -0.5880490 | 100 | 100 | NA | NA | 54655268 |
| BRD-A47832959 | NKDBA | trt_cp | down | -0.2611373 | 0.0122900 | 0.1187304 | -0.8760867 | NA | 229 | 0.0000000 | 100 | 100 | NA | NA | 3913264 |
| fenbendazole | HA1E | trt_cp | down | -0.2607343 | 0.0122900 | 0.1187304 | -0.9835867 | -37.17091 | 2241 | 0.0000000 | 100 | 100 | CYP2D6; CYP2J2; CYP3A4; TUBB | Tubulin inhibitor | 3334 |
| BMY-7378 | HA1E | trt_cp | down | -0.2606407 | 0.0122900 | 0.1187304 | -0.9832339 | -66.48817 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D | Adrenergic receptor antagonist; Serotonin receptor antagonist | 2419 |
| 7b-cis | HA1E | trt_cp | down | -0.2600078 | 0.0131762 | 0.1257322 | -0.9808461 | -60.37483 | 2241 | -1.2948475 | 100 | 100 | XPO1 | Exportin antagonist | 44589607 |
| piperine | HA1E | trt_cp | down | -0.2578575 | 0.0150962 | 0.1397300 | -0.9727345 | -70.68273 | 2241 | 0.7799259 | 100 | 100 | MAOA; MAOB; NR1I2; TRPV1 | Monoamine oxidase inhibitor | 638024 |
| apicidin | HA1E | trt_cp | down | -0.2566722 | 0.0161437 | 0.1471146 | -0.9682633 | -65.23873 | 2241 | -1.1257948 | 100 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 467801 |
| triflupromazine | HA1E | trt_cp | down | -0.2554075 | 0.0184416 | 0.1631691 | -0.9634924 | -49.93307 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRNA7; DRD1; HTR2B | Dopamine receptor antagonist | 5568 |
| purvalanol-b | HA1E | trt_cp | down | -0.2541925 | 0.0196884 | 0.1719174 | -0.9589089 | -60.82106 | 2241 | -0.0141860 | 100 | 100 | CDK2; CDK4; CDK5; MAPK3; SRPK2 | Tyrosine kinase inhibitor | 448991 |
| MBCQ | HA1E | trt_cp | down | -0.2536033 | 0.0196884 | 0.1719174 | -0.9566863 | -58.76841 | 2241 | -0.0167911 | 100 | 100 | PDE5A | Phosphodiesterase inhibitor | 6610310 |
| tebuthiuron | HA1E | trt_cp | down | -0.2535454 | 0.0196884 | 0.1719174 | -0.9564677 | -68.54083 | 2241 | 0.0000000 | 100 | 100 | NA | Photosynthesis inhibitor | 5383 |
| thiostrepton | NKDBA | trt_cp | down | -0.2535173 | 0.0196884 | 0.1719174 | -0.8505225 | NA | 229 | -0.8902413 | 100 | 100 | FOXM1 | FOXM1 inhibitor; Protein synthesis inhibitor | 16129995 |
| arvanil | HA1E | trt_cp | down | -0.2534209 | 0.0210094 | 0.1812819 | -0.9559979 | -57.02811 | 2241 | 0.0000000 | 100 | 100 | CNR1; TRPV1 | TRPV agonist | 6449767 |
| resorcinol | HA1E | trt_cp | down | -0.2526314 | 0.0210094 | 0.1812819 | -0.9530198 | -69.03168 | 2241 | 0.0000000 | 100 | 100 | CA12; CA14; INS-IGF2; PNMT; TPO | Phosphodiesterase inhibitor | 5054 |
| selinidin | HA1E | trt_cp | down | -0.2510760 | 0.0238390 | 0.1999174 | -0.9471521 | -59.97323 | 2241 | -0.0094715 | 100 | 100 | NA | Mast cell stabilizer | 668081 |
| BRD-K98025142 | HA1E | trt_cp | down | -0.2507004 | 0.0238390 | 0.1999174 | -0.9457354 | -75.10040 | 2241 | -0.0137240 | 100 | 100 | NA | NA | 701237 |
| promazine | HA1E | trt_cp | down | -0.2498018 | 0.0253670 | 0.2103134 | -0.9423453 | -54.43998 | 2241 | -0.2900703 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1; PRNP | Dopamine receptor antagonist | 4926 |
| O-2050 | HA1E | trt_cp | down | -0.2494279 | 0.0269838 | 0.2205745 | -0.9409350 | -50.06693 | 2241 | -0.6937165 | 100 | 100 | CNR1 | Cannabinoid receptor antagonist | 16102146 |
| fillalbin | HA1E | trt_cp | down | -0.2491882 | 0.0269838 | 0.2205745 | -0.9400307 | -72.60152 | 2241 | 0.0000000 | 100 | 100 | NA | Increases arterial blood pressure | 933171 |
| niclosamide | NKDBA | trt_cp | down | -0.2490941 | 0.0269838 | 0.2205745 | -0.8356831 | NA | 229 | -1.1260467 | 100 | 100 | STAT3 | DNA replication inhibitor; STAT inhibitor | 4477 |
| YK-4279 | HA1E | trt_cp | down | -0.2488187 | 0.0269838 | 0.2205745 | -0.9386369 | -61.98126 | 2241 | 0.7670139 | 100 | 100 | DHX9; EWSR1; FLI1 | Apoptosis stimulant; EWS-FLI1 inhibitor | 44632017 |
| BRD-K87964538 | HA1E | trt_cp | down | -0.2486433 | 0.0269838 | 0.2205745 | -0.9379750 | -66.57742 | 2241 | -0.0187595 | 100 | 100 | NA | NA | 665518 |
| BML-190 | HA1E | trt_cp | down | -0.2486152 | 0.0269838 | 0.2205745 | -0.9378691 | -68.98706 | 2241 | 0.0000000 | 100 | 100 | CNR2 | Cannabinoid receptor inverse agonist | 2415 |
| tolmetin | HA1E | trt_cp | down | -0.2483960 | 0.0286771 | 0.2311270 | -0.9370421 | -69.79027 | 2241 | -0.0280292 | 100 | 100 | NA | Cyclooxygenase inhibitor | 5509 |
| H-9 | HA1E | trt_cp | down | -0.2483151 | 0.0286771 | 0.2311270 | -0.9367369 | -40.47300 | 2241 | 0.0000000 | 100 | 100 | PRKACA | PKA inhibitor | 24113957 |
| tubastatin-a | HA1E | trt_cp | down | -0.2482031 | 0.0286771 | 0.2311270 | -0.9363145 | -64.39090 | 2241 | -0.8942657 | 100 | 100 | HDAC6 | HDAC inhibitor | 49850262 |
| hippeastrine | HA1E | trt_cp | down | -0.2481514 | 0.0286771 | 0.2311270 | -0.9361197 | -56.62651 | 2241 | 0.0000000 | 100 | 100 | NA | Plant alkaloid | 441594 |
| RS-39604 | HA1E | trt_cp | down | -0.2479079 | 0.0286771 | 0.2311270 | -0.9352010 | -46.22936 | 2241 | 0.0000000 | 100 | 100 | HTR4 | Serotonin receptor antagonist | 5145950 |
| rizatriptan | HA1E | trt_cp | down | -0.2477580 | 0.0286771 | 0.2311270 | -0.9346354 | -55.82329 | 2241 | 0.0000000 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F | Serotonin receptor agonist | 5078 |
| tipifarnib | HA1E | trt_cp | down | -0.2477568 | 0.0286771 | 0.2311270 | -0.9346309 | -73.89558 | 2241 | 0.0000000 | 100 | 100 | CHURC1-FNTB; FNTA; FNTB; RP11-598P20.5 | Farnesyltransferase inhibitor | 9935249 |
| BRD-K27630941 | HA1E | trt_cp | down | -0.2473549 | 0.0304564 | 0.2416111 | -0.9331146 | -62.78447 | 2241 | -0.0163196 | 100 | 100 | NA | NA | 24747182 |
| SKF-81297 | HA1E | trt_cp | down | -0.2471332 | 0.0304564 | 0.2416111 | -0.9322786 | -61.04418 | 2241 | 0.0000000 | 100 | 100 | DRD1 | Dopamine receptor agonist | 11957706 |
| SA-1462678 | NKDBA | trt_cp | down | -0.2470007 | 0.0304564 | 0.2416111 | -0.8286598 | NA | 229 | -0.5552021 | 100 | 100 | NA | NA | 54657141 |
| SA-1919875 | NKDBA | trt_cp | down | -0.2469017 | 0.0304564 | 0.2416111 | -0.8283276 | NA | 229 | -0.5549795 | 100 | 100 | NA | NA | 54666573 |
| metixene | HA1E | trt_cp | down | -0.2464748 | 0.0323254 | 0.2523861 | -0.9297949 | -67.73762 | 2241 | -0.0181718 | 100 | 100 | CHRM1; CHRM4; CHRM5 | Acetylcholine receptor antagonist | 4167 |
| BRD-K61627029 | HA1E | trt_cp | down | -0.2461753 | 0.0323254 | 0.2523861 | -0.9286648 | -73.04775 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1248117 |
| ricinine | HA1E | trt_cp | down | -0.2453324 | 0.0342699 | 0.2642023 | -0.9254850 | -55.60018 | 2241 | 0.0000000 | 100 | 100 | NA | Casein kinase inhibitor | 10666 |
| chlorprothixene | HA1E | trt_cp | down | -0.2445685 | 0.0342699 | 0.2642023 | -0.9226035 | -42.92726 | 2241 | -0.8706104 | 100 | 100 | CHRM1; CHRM4; CHRM5; DRD1; DRD3; HRH1; HTR2B | Dopamine receptor antagonist | 667467 |
| BRD-A24054354 | HA1E | trt_cp | down | -0.2439971 | 0.0363066 | 0.2758320 | -0.9204480 | -53.14592 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 3516032 |
| ABT-737 | HA1E | trt_cp | down | -0.2437942 | 0.0363066 | 0.2758320 | -0.9196826 | -55.42169 | 2241 | 0.0000000 | 100 | 100 | BAD; BCL2; BCL2L1; BCL2L2 | BCL inhibitor | 11228183 |
| RS-79948 | HA1E | trt_cp | down | -0.2437146 | 0.0363066 | 0.2758320 | -0.9193822 | -68.63008 | 2241 | 0.0000000 | 100 | 100 | NA | Adrenergic receptor antagonist | 9908992 |
| tacrolimus | HA1E | trt_cp | down | -0.2435634 | 0.0363066 | 0.2758320 | -0.9188118 | -48.63900 | 2241 | 0.0000000 | 100 | 100 | ABCB1; ABCG2; CYP3A5; CYP3A7; FKBP1A; FKBP2; FKBP4; IFNG; IL10; IL2; IL2RA; IL4; NFATC1; NFATC2; NFATC3; PPP3CA; PPP3CB; PPP3CC; PPP3R1; PPP3R2 | Calcineurin inhibitor | 24140138 |
| BRD-K40224283 | HA1E | trt_cp | down | -0.2432769 | 0.0384309 | 0.2883949 | -0.9177310 | -53.54752 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1409759 |
| papaverine | HA1E | trt_cp | down | -0.2428787 | 0.0384309 | 0.2883949 | -0.9162289 | -61.26729 | 2241 | -0.0274869 | 100 | 100 | PDE10A; PDE4B; PDE5A | Phosphodiesterase inhibitor | 6084 |
| BRD-K78883024 | HA1E | trt_cp | down | -0.2428212 | 0.0384309 | 0.2883949 | -0.9160119 | -69.79027 | 2241 | -0.0183202 | 100 | 100 | NA | NA | 56643192 |
| oxibendazole | HA1E | trt_cp | down | -0.2427662 | 0.0384309 | 0.2883949 | -0.9158045 | -51.18251 | 2241 | 0.0000000 | 100 | 100 | TUBB; TUBB4B | Tubulin inhibitor | 4622 |
| BRD-K10436544 | HA1E | trt_cp | down | -0.2417452 | 0.0406627 | 0.3008205 | -0.9119528 | -54.26149 | 2241 | 0.0000000 | 100 | 100 | NA | NA | NotFound |
| JAS07-008 | HA1E | trt_cp | down | -0.2417394 | 0.0406627 | 0.3008205 | -0.9119312 | -57.78670 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24747183 |
| PQ-401 | HA1E | trt_cp | down | -0.2397405 | 0.0454073 | 0.3144514 | -0.9043905 | -33.28871 | 2241 | -1.1482777 | 100 | 100 | IGF1R | IGF-1 inhibitor; IGF-1R inhibitor | 9549305 |
| thioridazine | HA1E | trt_cp | down | -0.2396659 | 0.0454073 | 0.3144514 | -0.9041091 | -51.67336 | 2241 | -0.9927762 | 100 | 100 | ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1 | Dopamine receptor antagonist | 5452 |
| ICI-118551 | HA1E | trt_cp | down | -0.2392703 | 0.0479389 | 0.3144514 | -0.9026168 | -61.57965 | 2241 | -0.8132962 | 100 | 100 | NA | Adrenergic receptor antagonist | 5484725 |
| eliprodil | HA1E | trt_cp | down | -0.2387250 | 0.0479389 | 0.3144514 | -0.9005597 | -64.92637 | 2241 | -0.7759980 | 100 | 100 | GRIN1; GRIN2B | Glutamate receptor antagonist | 60703 |
| LY-165163 | HA1E | trt_cp | down | -0.2386274 | 0.0479389 | 0.3144514 | -0.9001914 | -42.61490 | 2241 | 0.0000000 | 100 | 100 | HTR1D | Serotonin receptor antagonist | 121930 |
| butein | HA1E | trt_cp | down | -0.2373422 | 0.0532625 | 0.3144514 | -0.8953432 | -46.27398 | 2241 | -0.0260836 | 100 | 100 | ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF | EGFR inhibitor; SRC inhibitor | 5281222 |
| ZD-7114 | HA1E | trt_cp | down | -0.2366116 | 0.0532625 | 0.3144514 | -0.8925870 | -56.26952 | 2241 | 0.0000000 | 100 | 100 | ADRB3 | Adrenergic receptor agonist | 121877 |
| fludroxycortide | HA1E | trt_cp | down | -0.2356176 | 0.0560729 | 0.3144514 | -0.8888372 | -54.21687 | 2241 | -0.5759733 | 100 | 100 | NR3C1; SERPINA6 | Glucocorticoid receptor agonist | 5702172 |
| CFM-1571 | HA1E | trt_cp | down | -0.2345798 | 0.0589969 | 0.3144514 | -0.8849225 | -53.94913 | 2241 | -0.0265477 | 100 | 100 | NA | Guanylate cyclase activator | 9844347 |
| flavokavain-b | HA1E | trt_cp | down | -0.2336046 | 0.0620255 | 0.3144514 | -0.8812437 | -46.05087 | 2241 | -0.7630947 | 100 | 100 | HIF1A | Antineoplastic | 5356121 |
| SA-89705 | NKDBA | trt_cp | down | -0.2334192 | 0.0651636 | 0.3144514 | -0.7830955 | NA | 229 | -0.8207299 | 100 | 100 | NA | NA | 44487334 |
| MDL-11939 | HA1E | trt_cp | down | -0.2332323 | 0.0651636 | 0.3144514 | -0.8798392 | -50.29005 | 2241 | -0.0175968 | 100 | 100 | HTR2B | Serotonin receptor antagonist | 71781 |
| GBR-13069 | HA1E | trt_cp | down | -0.2326045 | 0.0651636 | 0.3144514 | -0.8774709 | -46.27398 | 2241 | -0.0229776 | 100 | 100 | SLC6A3 | Dopamine uptake inhibitor | 5974189 |
| KU-0060648 | HA1E | trt_cp | down | -0.2324093 | 0.0684082 | 0.3144514 | -0.8767343 | -47.52343 | 2241 | -1.1040864 | 100 | 100 | PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC | DNA dependent protein kinase inhibitor; PI3K inhibitor | 11964036 |
| SB-408124 | HA1E | trt_cp | down | -0.2320268 | 0.0684082 | 0.3144514 | -0.8752916 | -40.69612 | 2241 | 0.0000000 | 100 | 100 | HCRTR1; HCRTR2 | Orexin receptor antagonist | 4331799 |
| BRD-K42867405 | HA1E | trt_cp | down | -0.2315096 | 0.0684082 | 0.3144514 | -0.8733404 | -50.82552 | 2241 | -0.0174668 | 100 | 100 | NA | NA | 2482839 |
| PSH-024 | HA1E | trt_cp | down | -0.2310585 | 0.0717490 | 0.3144514 | -0.8716388 | -60.77644 | 2241 | -0.6502514 | 100 | 100 | NA | NA | 24747169 |
| picotamide | HA1E | trt_cp | down | -0.2309994 | 0.0717490 | 0.3144514 | -0.8714159 | -46.36323 | 2241 | 0.0000000 | 100 | 100 | PPBP; TBXA2R; TBXAS1 | Thromboxane receptor antagonist; Thromboxane synthase inhibitor | 4814 |
| imipramine | HA1E | trt_cp | down | -0.2306474 | 0.0717490 | 0.3144514 | -0.8700881 | -53.45828 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; FMO1; HRH1; HTR6; HTR7; KCND2; KCND3; KCNH1; KCNH2; ORM2; SLC22A3; SLC6A2; SLC6A3; SLC6A4 | Norepinephrine reuptake inhibitor; Serotonin reuptake inhibitor | 3696 |
| methotrexate | HA1E | trt_cp | down | -0.2301697 | 0.0751866 | 0.3144514 | -0.8682858 | -47.70192 | 2241 | -0.9636239 | 100 | 100 | ABCB1; ABCC2; ABCC3; ABCC4; ABCG2; AOX1; CRP; DHFR; FOLR1; FOLR2; FPGS; GGH; PDF; SLC19A1; SLC22A6; TYMS | Dihydrofolate reductase inhibitor | 4112 |
| BRD-K18761689 | HA1E | trt_cp | down | -0.2290544 | 0.0787550 | 0.3144514 | -0.8640785 | -45.33690 | 2241 | -0.0172816 | 100 | 100 | NA | NA | 24747340 |
| brazilin | HA1E | trt_cp | down | -0.2288900 | 0.0787550 | 0.3144514 | -0.8634583 | -46.27398 | 2241 | 0.0000000 | 100 | 100 | NA | Nitric oxide production inhibitor | 73384 |
| bendroflumethiazide | HA1E | trt_cp | down | -0.2285871 | 0.0787550 | 0.3144514 | -0.8623158 | -52.65506 | 2241 | 0.0000000 | 100 | 100 | CA1; CA4; KCNMA1; SLC12A1; SLC12A3 | Sodium/potassium/chloride transporter inhibitor | 2315 |
| ZK-93423 | HA1E | trt_cp | down | -0.2285497 | 0.0787550 | 0.3144514 | -0.8621746 | -58.81303 | 2241 | 0.0000000 | 100 | 100 | GABRA2; GABRA3; GABRA5; GABRB2; GABRG2 | Benzodiazepine receptor agonist | 121926 |
| tyrphostin-B44 | HA1E | trt_cp | down | -0.2268849 | 0.0861386 | 0.3144514 | -0.8558942 | -47.34494 | 2241 | 0.8716020 | 100 | 100 | NA | EGFR inhibitor | 23919058 |
| robustic-acid | HA1E | trt_cp | down | -0.2265182 | 0.0861386 | 0.3144514 | -0.8545111 | -56.09103 | 2241 | -0.0085451 | 100 | 100 | NA | cAMP inhibitor | 54677407 |
| SA-90030 | NKDBA | trt_cp | down | -0.2264391 | 0.0899926 | 0.3144514 | -0.7596781 | NA | 229 | -0.7921897 | 100 | 100 | NA | NA | 44484225 |
| BRD-A56831909 | HA1E | trt_cp | down | -0.2248404 | 0.0939448 | 0.3144514 | -0.8481817 | -50.29005 | 2241 | -0.0140149 | 100 | 100 | NA | NA | 44142078 |
| AZD-8055 | HA1E | trt_cp | down | -0.2246943 | 0.0939448 | 0.3144514 | -0.8476305 | -48.50513 | 2241 | -1.0740986 | 100 | 100 | MTOR | MTOR inhibitor | 25262965 |
| GW-6471 | HA1E | trt_cp | down | -0.2242934 | 0.0979693 | 0.3144514 | -0.8461181 | -49.39759 | 2241 | 0.0000000 | 100 | 100 | PPARA | PPAR receptor antagonist | 44634742 |
| CDC | HA1E | trt_cp | down | -0.2240310 | 0.0979693 | 0.3144514 | -0.8451285 | -47.12182 | 2241 | 0.0000000 | 100 | 100 | ALOX12; ALOX5 | Lipoxygenase inhibitor | 14840979 |
| INCA-6 | HA1E | trt_cp | down | -0.2240254 | 0.0979693 | 0.3144514 | -0.8451071 | -45.82776 | 2241 | 0.0000000 | 100 | 100 | NFATC1 | Calcineurin inhibitor | 230748 |
| CPCCOEt | HA1E | trt_cp | down | -0.2237090 | 0.0979693 | 0.3144514 | -0.8439135 | -60.91031 | 2241 | 0.0000000 | 100 | 100 | GRM1 | Glutamate receptor antagonist | 6278000 |
| BRD-K21640605 | HA1E | trt_cp | down | -0.2235853 | 0.0979693 | 0.3144514 | -0.8434472 | -48.72825 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 665093 |
| hypericin | HA1E | trt_cp | down | -0.2235689 | 0.0979693 | 0.3144514 | -0.8433851 | -62.73985 | 2241 | -0.7785518 | 100 | 100 | GSTA1 | Tyrosine kinase inhibitor | 3663 |
| BRD-K83589469 | HA1E | trt_cp | down | -0.2234830 | 0.1020951 | 0.3144514 | -0.8430611 | -56.67113 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 20969430 |
| nicotine | HA1E | trt_cp | down | -0.2231750 | 0.1020951 | 0.3144514 | -0.8418992 | -52.52120 | 2241 | -0.0168380 | 100 | 100 | AOX1; CHAT; CHRNA1; CHRNA10; CHRNA2; CHRNA3; CHRNA4; CHRNA5; CHRNA6; CHRNA7; CHRNA9; CHRNB2; CHRNB3; CHRNB4; CHRND; CHRNE; CYP19A1; CYP2A6; CYP2B6; CYP2E1; CYP2U1; FMO1; FMO2; FMO3; FMO4; FMO5; FMO6P; FOS; INMT; PNMT; TBXAS1; TH; TRPA1; UGT1A4; UGT2B10; UGT2B11 | Acetylcholine receptor agonist | 89594 |
| rimcazole | HA1E | trt_cp | down | -0.2229271 | 0.1020951 | 0.3144514 | -0.8409640 | -44.89067 | 2241 | 0.0000000 | 100 | 100 | SIGMAR1 | Sigma receptor antagonist | 5072 |
| SA-97259 | NKDBA | trt_cp | down | -0.2227567 | 0.1020951 | 0.3144514 | -0.7473240 | NA | 229 | 0.0000000 | 100 | 100 | NA | NA | 44500706 |
| lovastatin | HA1E | trt_cp | down | -0.2225446 | 0.1020951 | 0.3144514 | -0.8395210 | -34.27041 | 2241 | 0.0000000 | 100 | 100 | APOA1; APOB; CYP2C9; CYP3A5; HDAC2; HMGCR; ITGAL; LDLR; LMNA; NR1I2; RAF1; RASD1; RHOA; RHOB | HMGCR inhibitor | 3565209 |
| BRD-K63181962 | HA1E | trt_cp | down | -0.2224817 | 0.1063172 | 0.3144514 | -0.8392837 | -52.20884 | 2241 | -0.7756770 | 100 | 100 | NA | NA | 44142057 |
| parachlorophenol | HA1E | trt_cp | down | -0.2220422 | 0.1063172 | 0.3144514 | -0.8376257 | -45.20303 | 2241 | 0.0000000 | 100 | 100 | SCN4A | Anti-infective | 4684 |
| BRD-K37061750 | HA1E | trt_cp | down | -0.2219437 | 0.1063172 | 0.3144514 | -0.8372544 | -60.59795 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 3538139 |
| hexylresorcinol | HA1E | trt_cp | down | -0.2218969 | 0.1063172 | 0.3144514 | -0.8370777 | -55.91254 | 2241 | -0.0167416 | 100 | 100 | TGM2; TOP1; TYR | Local anesthetic | 3610 |
| BRD-A98200599 | HA1E | trt_cp | down | -0.2215234 | 0.1063172 | 0.3144514 | -0.8356687 | -44.26595 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 570188 |
| BRD-K70415218 | HA1E | trt_cp | down | -0.2212241 | 0.1106222 | 0.3144514 | -0.8345397 | -43.86435 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24747177 |
| BRD-K40577058 | HA1E | trt_cp | down | -0.2210027 | 0.1106222 | 0.3144514 | -0.8337044 | -49.44221 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44142084 |
| BMY-45778 | HA1E | trt_cp | down | -0.2207504 | 0.1106222 | 0.3144514 | -0.8327528 | -40.24989 | 2241 | -0.6977511 | 100 | 100 | PTGIR | IP1 prostacyclin receptor agonist | 127861 |
| flumetasone | HA1E | trt_cp | down | -0.2199137 | 0.1150293 | 0.3144514 | -0.8295965 | -50.55779 | 2241 | 0.0000000 | 100 | 100 | NR3C1; PLA2G1B | Glucocorticoid receptor agonist | 5702178 |
| cabergoline | HA1E | trt_cp | down | -0.2191880 | 0.1195050 | 0.3144514 | -0.8268586 | -29.45114 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL | Dopamine receptor agonist | 54746 |
| GW-5074 | HA1E | trt_cp | down | -0.2184294 | 0.1240573 | 0.3144514 | -0.8239969 | -39.22356 | 2241 | 0.0000000 | 100 | 100 | LRRK1; LRRK2; NTRK1; RAF1 | Leucine rich repeat kinase inhibitor; RAF inhibitor | 5924208 |
| mibefradil | HA1E | trt_cp | down | -0.2183963 | 0.1240573 | 0.3144514 | -0.8238722 | -39.17894 | 2241 | -1.1823910 | 100 | 100 | ANO1; CACNA1C; CACNA1D; CACNA1F; CACNA1G; CACNA1H; CACNA1I; CACNA1S; CACNB1; CACNB2; CACNB3; CACNB4; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CYP3A5; CYP3A7; SCN2A; SCN4A; SCN5A; SCN9A | T-type calcium channel blocker | 5230270 |
| SA-1921085 | NKDBA | trt_cp | down | -0.2178951 | 0.1240573 | 0.3144514 | -0.7310139 | NA | 229 | -0.5043996 | 100 | 100 | NA | NA | 54666595 |
| FK-888 | HA1E | trt_cp | down | -0.2178366 | 0.1240573 | 0.3144514 | -0.8217608 | -43.19500 | 2241 | 0.0000000 | 100 | 100 | TACR1; TACR2 | Tachykinin antagonist | 107967 |
| SA-440772 | NKDBA | trt_cp | down | -0.2177178 | 0.1240573 | 0.3144514 | -0.7304191 | NA | 229 | -0.4893808 | 100 | 100 | NA | NA | 44495084 |
| BRD-A74983348 | HA1E | trt_cp | down | -0.2171893 | 0.1286736 | 0.3144514 | -0.8193190 | -59.61624 | 2241 | -0.0155669 | 100 | 100 | NA | NA | 24747150 |
| BRD-K25522720 | HA1E | trt_cp | down | -0.2167114 | 0.1286736 | 0.3144514 | -0.8175162 | -40.82999 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1400698 |
| ML-9 | HA1E | trt_cp | down | -0.2165048 | 0.1286736 | 0.3144514 | -0.8167368 | -45.47077 | 2241 | -0.8172525 | 100 | 100 | MLCK; PKA; PKC; TRPC6 | Myosin light chain kinase inhibitor | 108047 |
| zolmitriptan | HA1E | trt_cp | down | -0.2162126 | 0.1333588 | 0.3144514 | -0.8156344 | -40.56225 | 2241 | 0.0000000 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F | Serotonin receptor agonist | 60857 |
| SB-222200 | HA1E | trt_cp | down | -0.2161786 | 0.1333588 | 0.3144514 | -0.8155060 | -48.50513 | 2241 | 0.0000000 | 100 | 100 | TACR3 | Tachykinin antagonist | 6604009 |
| sildenafil | HA1E | trt_cp | down | -0.2159779 | 0.1333588 | 0.3144514 | -0.8147491 | -45.06917 | 2241 | 0.0000000 | 100 | 100 | C1S; PDE11A; PDE5A; PDE6C; PDE6G; PDE6H; SLCO1B1; SLCO1B3 | Phosphodiesterase inhibitor | 5212 |
| NSC-119889 | HA1E | trt_cp | down | -0.2152674 | 0.1381184 | 0.3144514 | -0.8120688 | -54.75234 | 2241 | -0.7568279 | 100 | 100 | NA | Protein synthesis inhibitor | 274104 |
| BRD-K00863322 | HA1E | trt_cp | down | -0.2145229 | 0.1381184 | 0.3144514 | -0.8092601 | -51.89647 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 4675130 |
| nitrendipine | HA1E | trt_cp | down | -0.2140744 | 0.1429115 | 0.3144514 | -0.8075682 | -45.82776 | 2241 | 0.0000000 | 100 | 100 | CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 | Calcium channel blocker | 4507 |
| scopolamine | HA1E | trt_cp | down | -0.2136672 | 0.1429115 | 0.3144514 | -0.8060322 | -51.27175 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRM4; CHRM5; CHRNA4; CHRNB2; RELA; SI | Acetylcholine receptor antagonist | 2837667 |
| norethindrone | HA1E | trt_cp | down | -0.2133308 | 0.1477536 | 0.3144514 | -0.8047634 | -44.22133 | 2241 | -0.0160953 | 100 | 100 | PGR | Progesterone receptor agonist; Progestogen hormone | 6230 |
| SA-96816 | NKDBA | trt_cp | down | -0.2130009 | 0.1477536 | 0.3144514 | -0.7145943 | NA | 229 | -0.4787782 | 100 | 100 | NA | NA | 44494782 |
| tyrphostin-AG-18 | HA1E | trt_cp | down | -0.2126061 | 0.1477536 | 0.3144514 | -0.8020293 | -34.44891 | 2241 | 0.0000000 | 100 | 100 | EGFR | EGFR inhibitor; Tyrosine kinase inhibitor | NotFound |
| rimexolone | HA1E | trt_cp | down | -0.2124681 | 0.1526432 | 0.3144514 | -0.8015088 | -33.55645 | 2241 | 0.0000000 | 100 | 100 | NR3C1; SERPINA6 | Glucocorticoid receptor agonist | 73707479 |
| diazepam | HA1E | trt_cp | down | -0.2112148 | 0.1575604 | 0.3144514 | -0.7967809 | -50.91477 | 2241 | 0.0000000 | 100 | 100 | ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO | Benzodiazepine receptor agonist | 3016 |
| asiatic-acid | HA1E | trt_cp | down | -0.2109957 | 0.1575604 | 0.3144514 | -0.7959544 | -44.80143 | 2241 | 0.0000000 | 100 | 100 | PYGM | Apoptosis stimulant | 119034 |
| phosphodiesterase-V-inhibitor-II | HA1E | trt_cp | down | -0.2104586 | 0.1625104 | 0.3144514 | -0.7939284 | -41.90094 | 2241 | 0.0000000 | 100 | 100 | PDE5A | Phosphodiesterase inhibitor | 11003969 |
| amisulpride | HA1E | trt_cp | down | -0.2098837 | 0.1625104 | 0.3144514 | -0.7917597 | -48.28202 | 2241 | -0.0158352 | 100 | 100 | DRD3; HTR7 | Dopamine receptor antagonist | 2159 |
| bisindolylmaleimide | HA1E | trt_cp | down | -0.2097078 | 0.1625104 | 0.3144514 | -0.7910959 | -35.78759 | 2241 | -0.9629333 | 100 | 100 | CCND1; CDK4; LRRK2; PIM1; PRKCA; PRKCB; PRKCI; PRKCZ | CDK inhibitor | NotFound |
| BRD-K39345836 | HA1E | trt_cp | down | -0.2087498 | 0.1674784 | 0.3144514 | -0.7874821 | -40.78536 | 2241 | -0.0157496 | 100 | 100 | NA | NA | 2432214 |
| hydrocortisone-phosphate | HA1E | trt_cp | down | -0.2082415 | 0.1724645 | 0.3144514 | -0.7855645 | -34.80589 | 2241 | -0.0157113 | 100 | 100 | NA | NA | 441407 |
| nefopam | HA1E | trt_cp | down | -0.2063365 | 0.1824439 | 0.3144514 | -0.7783780 | -38.33110 | 2241 | 0.0000000 | 100 | 100 | NA | Cyclooxygenase inhibitor | 155290 |
| erythromycin-ethylsuccinate | HA1E | trt_cp | down | -0.2038791 | 0.1923823 | 0.3144514 | -0.7691078 | -40.42838 | 2241 | -0.6902908 | 100 | 100 | NA | NA | 443953 |
| megestrol | HA1E | trt_cp | down | -0.2036536 | 0.1923823 | 0.3144514 | -0.7682573 | -42.03481 | 2241 | 0.0000000 | 100 | 100 | PGR | progesterone receptor agonist; Progesterone receptor agonist | 73707408 |
| GR-127935 | HA1E | trt_cp | down | -0.2036126 | 0.1923823 | 0.3144514 | -0.7681026 | -25.61357 | 2241 | -0.7752100 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR6 | Serotonin receptor antagonist | 107780 |
| BRD-K75644678 | HA1E | trt_cp | down | -0.2035097 | 0.1923823 | 0.3144514 | -0.7677142 | -43.41812 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 23640021 |
| BRD-K13146765 | HA1E | trt_cp | down | -0.2030006 | 0.1973085 | 0.3144514 | -0.7657940 | -35.51986 | 2241 | -0.6229643 | 100 | 100 | NA | NA | 25199536 |
| monoethylhexylphthalate | HA1E | trt_cp | down | -0.2017552 | 0.2022059 | 0.3144514 | -0.7610959 | -26.77376 | 2241 | -0.7610959 | 100 | 100 | NA | NA | 20393 |
| etifenin | HA1E | trt_cp | down | -0.1990506 | 0.2166037 | 0.3144514 | -0.7508931 | -29.18340 | 2241 | 0.0000000 | 100 | 100 | NA | Compound used in hepatobiliary scans of the liver | 170344 |
| pyrazolanthrone | HA1E | trt_cp | down | -0.1988263 | 0.2166037 | 0.3144514 | -0.7500470 | -31.41455 | 2241 | 0.0000000 | 100 | 100 | LRRK2; MAPK10; MAPK8; MAPK8IP1; MAPK9; TTK | JNK inhibitor | 8515 |
| azaperone | HA1E | trt_cp | down | -0.1979186 | 0.2213004 | 0.3144514 | -0.7466226 | -31.95002 | 2241 | 0.0000000 | 100 | 100 | DRD3 | Dopamine receptor antagonist | 15443 |
| dihydrosamidin | HA1E | trt_cp | down | -0.1978227 | 0.2213004 | 0.3144514 | -0.7462610 | -35.47523 | 2241 | 0.0000000 | 100 | 100 | NA | Nitric oxide production inhibitor; Phospholipase inhibitor; Platelet activating factor receptor antagonist | 442128 |
| BRD-K17203693 | HA1E | trt_cp | down | -0.1960251 | 0.2304177 | 0.3144514 | -0.7394798 | -42.92726 | 2241 | -0.2588179 | 100 | 100 | NA | NA | 44142072 |
| ichthynone | HA1E | trt_cp | down | -0.1959190 | 0.2304177 | 0.3144514 | -0.7390795 | -37.92950 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 3428129 |
| KU-C103443N | HA1E | trt_cp | down | -0.1957539 | 0.2304177 | 0.3144514 | -0.7384566 | -28.78179 | 2241 | -0.6348327 | 100 | 100 | NA | CDC inhibitor; Rho associated kinase inhibitor | 13927312 |
| hydrastine-(1r,-9s) | HA1E | trt_cp | down | -0.1956108 | 0.2304177 | 0.3144514 | -0.7379168 | -33.02097 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 197834 |
| SA-90471 | NKDBA | trt_cp | down | -0.1953920 | 0.2348545 | 0.3144514 | -0.6555185 | NA | 229 | -0.4391974 | 100 | 100 | NA | NA | 44492894 |
| haloperidol | HA1E | trt_cp | down | -0.1948727 | 0.2348545 | 0.3144514 | -0.7351323 | -41.99018 | 2241 | -0.0147026 | 100 | 100 | ADCY10; AKR1C1; APITD1-CORT; CYP3A7; DCXR; DRD1; DRD3; DRD4; FOS; GAD1; GRIN1; GRIN2B; HRH1; HTR1D; HTR2B; HTR7; KCNH1; MCHR1; PENK; SLC18A2; TH | Dopamine receptor antagonist; Psychoactive drug | 3559 |
| BRD-K45355657 | HA1E | trt_cp | down | -0.1945695 | 0.2348545 | 0.3144514 | -0.7339887 | -26.55065 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 23648024 |
| BRD-K39208132 | HA1E | trt_cp | down | -0.1940580 | 0.2391936 | 0.3144514 | -0.7320591 | -32.12851 | 2241 | 0.0196244 | 100 | 100 | NA | NA | 963514 |
| HTMT | HA1E | trt_cp | down | -0.1932683 | 0.2434283 | 0.3144514 | -0.7290800 | -43.06113 | 2241 | -0.0145816 | 100 | 100 | HRH4 | Histamine receptor agonist | 124846 |
| gelsemine | HA1E | trt_cp | down | -0.1923660 | 0.2475593 | 0.3144514 | -0.7256761 | -35.38599 | 2241 | 0.0000000 | 100 | 100 | GLRA3 | Acetylcholine receptor antagonist; Glycine receptor antagonist | 5390854 |
| H-8 | HA1E | trt_cp | down | -0.1919182 | 0.2475593 | 0.3144514 | -0.7239868 | -32.79786 | 2241 | 0.0000000 | 100 | 100 | PKIA; PRKACA | PKA inhibitor | 3540 |
| BRD-K46170844 | HA1E | trt_cp | down | -0.1917366 | 0.2475593 | 0.3144514 | -0.7233020 | -36.54618 | 2241 | -0.0144660 | 100 | 100 | NA | NA | 44142118 |
| pizotifen | HA1E | trt_cp | down | -0.1911720 | 0.2515630 | 0.3144514 | -0.7211718 | -31.19143 | 2241 | 0.0000000 | 100 | 100 | ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B | Serotonin receptor antagonist | 27400 |
| loperamide | HA1E | trt_cp | down | -0.1907205 | 0.2515630 | 0.3144514 | -0.7194687 | -29.71888 | 2241 | 0.0000000 | 100 | 100 | CACNA1A; CALM1; CALM2; CALM3; CYP2B6; CYP2C8; NPR2; NR1I3; OPRD1; OPRK1; OPRM1; POMC | Opioid receptor agonist | 71420 |
| BRD-K44878494 | HA1E | trt_cp | down | -0.1895764 | 0.2554585 | 0.3144514 | -0.7151529 | -37.12628 | 2241 | 0.0196411 | 100 | 100 | NA | NA | 24747232 |
| r(-)-propylnorapomorphine | HA1E | trt_cp | down | -0.1887135 | 0.2592165 | 0.3144514 | -0.7118977 | -32.88710 | 2241 | 0.0243481 | 100 | 100 | DRD1; DRD3 | Dopamine receptor agonist; TRPA1 modulator | NotFound |
| GBR-12783 | HA1E | trt_cp | down | -0.1879716 | 0.2628384 | 0.3144514 | -0.7090990 | -29.94199 | 2241 | 0.0000000 | 100 | 100 | NA | Dopamine uptake inhibitor | 5788723 |
| SA-1480001 | NKDBA | trt_cp | down | -0.1871961 | 0.2663461 | 0.3144514 | -0.6280220 | NA | 229 | -0.4207747 | 100 | 100 | NA | NA | 54654441 |
| dilazep | HA1E | trt_cp | down | -0.1855036 | 0.2697161 | 0.3144514 | -0.6997887 | -32.35163 | 2241 | -0.8239155 | 100 | 100 | CACNA1C; SLC29A1 | Adenosine reuptake inhibitor | 3074 |
| ozagrel | HA1E | trt_cp | down | -0.1848292 | 0.2729519 | 0.3144514 | -0.6972447 | -25.56894 | 2241 | 0.0000000 | 100 | 100 | TBXAS1 | Thromboxane synthase inhibitor | 5282440 |
| L-693403 | HA1E | trt_cp | down | -0.1840769 | 0.2760193 | 0.3144514 | -0.6944066 | -25.43507 | 2241 | 0.0000000 | 100 | 100 | SIGMAR1 | Sigma receptor agonist; Sigma receptor antagonist | 4687238 |
| pirlindole | HA1E | trt_cp | down | -0.1822523 | 0.2817278 | 0.3144514 | -0.6875236 | -36.01071 | 2241 | 0.0000000 | 100 | 100 | MAOA; SLC6A2; SLC6A4 | Monoamine oxidase inhibitor | 68802 |
| SR-95639A | HA1E | trt_cp | down | -0.1809623 | 0.2843721 | 0.3144514 | -0.6826573 | -16.95672 | 2241 | 0.0000000 | 100 | 100 | CHRM1 | Acetylcholine receptor agonist | 195165 |
| BRD-K23673040 | HA1E | trt_cp | down | -0.1795827 | 0.2868615 | 0.3144514 | -0.6774529 | -31.05756 | 2241 | -1.1422602 | 100 | 100 | NA | NA | 690299 |
| rosuvastatin | HA1E | trt_cp | down | -0.1786461 | 0.2892208 | 0.3144514 | -0.6739196 | -26.72914 | 2241 | 0.0000000 | 100 | 100 | APOB; CRP; HMGCR; SLCO1B1 | HMGCR inhibitor | 446157 |
| lidoflazine | HA1E | trt_cp | down | -0.1777332 | 0.2914100 | 0.3144514 | -0.6704757 | -30.96832 | 2241 | 0.0000000 | 100 | 100 | SCN1A; SCN3A; SLC29A1 | Calcium channel blocker | 3926 |
| BRD-K30381384 | HA1E | trt_cp | down | -0.1766928 | 0.2934791 | 0.3144514 | -0.6665510 | -24.63186 | 2241 | -0.0133310 | 100 | 100 | NA | NA | 6619100 |
| pinacidil | HA1E | trt_cp | down | -0.1736816 | 0.2988981 | 0.3144514 | -0.6551915 | -39.40205 | 2241 | 0.0000000 | 100 | 100 | ABCC8; ABCC9; KCNJ11; KCNJ8 | ATP channel activator; Potassium channel activator | 4826 |
| metergoline | HA1E | trt_cp | down | -0.1733894 | 0.3004404 | 0.3144514 | -0.6540893 | -30.83445 | 2241 | 0.0000000 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A | Dopamine receptor agonist; Serotonin receptor antagonist | 28693 |
| BRD-K75315865 | HA1E | trt_cp | down | -0.1723383 | 0.3018747 | 0.3144514 | -0.6501244 | -31.86078 | 2241 | -0.0130025 | 100 | 100 | NA | NA | 44825304 |
| tetramisole | HA1E | trt_cp | down | -0.1706691 | 0.3031937 | 0.3144514 | -0.6438273 | -30.78983 | 2241 | 0.0000000 | 100 | 100 | NA | Immunostimulant | 3913 |
| CGS-15943 | NKDBA | trt_cp | down | -0.1654396 | 0.3089922 | 0.3144514 | -0.5550314 | NA | 229 | -0.9132141 | 100 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor antagonist | 2690 |
| prothionamide | HA1E | trt_cp | down | -0.1653872 | 0.3089922 | 0.3144514 | -0.6239022 | -27.71084 | 2241 | 0.0000000 | 100 | 100 | NA | Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor | 666418 |
| profenamine | HA1E | trt_cp | down | -0.1643892 | 0.3096622 | 0.3144514 | -0.6201373 | -28.51406 | 2241 | 0.0131797 | 100 | 100 | BCHE; CHRM1; GRIN3A | Butyrylcholinesterase inhibitor; Cholinergic receptor antagonist | 3290 |
| KN-93 | HA1E | trt_cp | down | -0.1642826 | 0.3096622 | 0.3144514 | -0.6197351 | -27.39848 | 2241 | -0.6286324 | 100 | 100 | CAMK2A | Calcium-calmodulin dependent protein kinase inhibitor | 5312122 |
| tramadol | HA1E | trt_cp | down | -0.1634093 | 0.3102623 | 0.3144514 | -0.6164407 | -28.64793 | 2241 | 0.0000000 | 100 | 100 | CYP2B6; GRIN3A; OPRD1; OPRK1; OPRM1; SLC6A2; SLC6A4 | Norepinephrine reuptake inhibitor; Opioid receptor agonist; Serotonin reuptake inhibitor | 33741 |
Load in top up and down DEGs
hom_56_UP <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_UP_220421.csv"))
hom_56_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_DOWN_220421.csv"))
Run signatureSearch, filter for kidney cell lines
gess_kidneycells_56 <- ssRun(upgenes = as.character(hom_56_UP$entrezgene_id), downgenes = as.character(hom_56_DOWN$entrezgene_id), cells = "kidney")
## 103 / 103 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database
gess_res_vis(gess_kidneycells_56, drugs = unique(gess_kidneycells_56$pert)[1:20], col = "WTCS")
knitr::kable(gess_kidneycells_56, col.names = colnames(gess_kidneycells_56))
| pert | cell | type | trend | WTCS | WTCS_Pval | WTCS_FDR | NCS | Tau | TauRefSize | NCSct | N_upset | N_downset | t_gn_sym | MOAss | PCIDss |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KU-0060648 | HA1E | trt_cp | down | -0.4242836 | 0.0000251 | 0.0012156 | -1.5639792 | -94.86836 | 2241 | 0.0000000 | 103 | 100 | PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC | DNA dependent protein kinase inhibitor; PI3K inhibitor | 11964036 |
| thiotepa | HA1E | trt_cp | down | -0.4221439 | 0.0000252 | 0.0012156 | -1.5560919 | -99.50915 | 2241 | 0.0000000 | 103 | 100 | CYP2B6 | Cytochrome P450 inhibitor | 5453 |
| PSH-024 | HA1E | trt_cp | down | -0.4186067 | 0.0000253 | 0.0012156 | -1.5430531 | -98.88443 | 2241 | -0.0173257 | 103 | 100 | NA | NA | 24747169 |
| phenoxybenzamine | HA1E | trt_cp | down | -0.3955998 | 0.0000263 | 0.0012156 | -1.4582461 | -98.30433 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB2; CALM1; CALM2; CALM3 | Adrenergic receptor antagonist | 5284441 |
| ML-9 | HA1E | trt_cp | down | -0.3934977 | 0.0000264 | 0.0012156 | -1.4504973 | -98.97367 | 2241 | 0.0000000 | 103 | 100 | MLCK; PKA; PKC; TRPC6 | Myosin light chain kinase inhibitor | 108047 |
| methylnorlichexanthone | HA1E | trt_cp | down | -0.3904145 | 0.0000265 | 0.0012156 | -1.4391320 | -98.08121 | 2241 | -0.0143913 | 103 | 100 | AURKB; KDR; PIM1 | Aurora kinase inhibitor; PIM inhibitor; VEGFR inhibitor | 5377914 |
| ivachtin | HA1E | trt_cp | down | -0.3902934 | 0.0000265 | 0.0012156 | -1.4386858 | -90.67381 | 2241 | 0.0000000 | 103 | 100 | CASP3 | Caspase inhibitor | 11201705 |
| SA-1472734 | NKDBA | trt_cp | down | -0.3892326 | 0.0000266 | 0.0012156 | -1.5720156 | NA | 229 | -1.0532504 | 103 | 100 | NA | NA | 54654437 |
| IB-MECA | HA1E | trt_cp | down | -0.3814071 | 0.0000269 | 0.0012156 | -1.4059295 | -97.14413 | 2241 | 0.0000000 | 103 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor agonist | 3668 |
| bendroflumethiazide | HA1E | trt_cp | down | -0.3810532 | 0.0000269 | 0.0012156 | -1.4046247 | -98.30433 | 2241 | 0.0000000 | 103 | 100 | CA1; CA4; KCNMA1; SLC12A1; SLC12A3 | Sodium/potassium/chloride transporter inhibitor | 2315 |
| AM-251 | HA1E | trt_cp | down | -0.3801979 | 0.0000270 | 0.0012156 | -1.4014721 | -96.87639 | 2241 | 0.0000000 | 103 | 100 | CNR1; GPR18; GPR55 | Cannabinoid receptor antagonist | 2125 |
| carbofuran | HA1E | trt_cp | down | -0.3774098 | 0.0000271 | 0.0012156 | -1.3911945 | -96.92102 | 2241 | -0.0241251 | 103 | 100 | NA | Cholinesterase inhibitor | 2566 |
| NSC-23766 | HA1E | trt_cp | down | -0.3761821 | 0.0000272 | 0.0012156 | -1.3866693 | -98.17046 | 2241 | 0.0000000 | 103 | 100 | NA | Ras GTPase inhibitor | 409805 |
| MD-920 | HA1E | trt_cp | down | -0.3761174 | 0.0000272 | 0.0012156 | -1.3864308 | -95.35921 | 2241 | -0.0205228 | 103 | 100 | NA | NA | 6466 |
| KB-R7943 | HA1E | trt_cp | down | -0.3753981 | 0.0000272 | 0.0012156 | -1.3837791 | -92.23561 | 2241 | 0.0000000 | 103 | 100 | SLC8A1; TRPC3; TRPC5; TRPC6 | Sodium/calcium exchange inhibitor | 4534086 |
| tetrahydrozoline | HA1E | trt_cp | down | -0.3750877 | 0.0000272 | 0.0012156 | -1.3826349 | -95.09148 | 2241 | -0.0161708 | 103 | 100 | NA | NA | 5419 |
| diazepam | HA1E | trt_cp | down | -0.3749360 | 0.0000272 | 0.0012156 | -1.3820757 | -96.34092 | 2241 | -0.3247843 | 103 | 100 | ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO | Benzodiazepine receptor agonist | 3016 |
| dihydrexidine | HA1E | trt_cp | down | -0.3706376 | 0.0000274 | 0.0012156 | -1.3662311 | -98.48282 | 2241 | -0.8790632 | 103 | 100 | DRD1; DRD3; DRD4 | Dopamine receptor agonist | 5311070 |
| BRD-K49814456 | HA1E | trt_cp | down | -0.3683040 | 0.0000275 | 0.0012156 | -1.3576292 | -96.87639 | 2241 | -0.0149870 | 103 | 100 | NA | NA | 1737777 |
| carteolol | HA1E | trt_cp | down | -0.3670381 | 0.0000275 | 0.0012156 | -1.3529629 | -94.02053 | 2241 | 0.0000000 | 103 | 100 | ADRB1; ADRB2 | Adrenergic receptor antagonist | 2583 |
| bicalutamide | HA1E | trt_cp | down | -0.3666663 | 0.0000275 | 0.0012156 | -1.3515923 | -93.79741 | 2241 | -0.9591785 | 103 | 100 | AR; CYP46A1; KLK3 | Androgen receptor antagonist | 2375 |
| LY-344864 | HA1E | trt_cp | down | -0.3660596 | 0.0000276 | 0.0012156 | -1.3493560 | -96.74253 | 2241 | 0.0000000 | 103 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7 | Serotonin receptor agonist | 5311097 |
| aminoglutethimide | HA1E | trt_cp | down | -0.3656273 | 0.0000276 | 0.0012156 | -1.3477623 | -96.65328 | 2241 | -0.0226518 | 103 | 100 | CYP11A1; CYP19A1; NR3C1 | Glucocorticoid receptor antagonist | 2145 |
| etilefrine | HA1E | trt_cp | down | -0.3636021 | 0.0000277 | 0.0012156 | -1.3402973 | -95.58233 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; ADRB1 | Adrenergic receptor agonist | 3306 |
| pizotifen | HA1E | trt_cp | down | -0.3627148 | 0.0000278 | 0.0012156 | -1.3370266 | -90.31682 | 2241 | 0.0000000 | 103 | 100 | ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B | Serotonin receptor antagonist | 27400 |
| ZM-241385 | HA1E | trt_cp | down | -0.3612981 | 0.0000279 | 0.0012156 | -1.3318043 | -93.48505 | 2241 | -0.7109558 | 103 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor antagonist | 176407 |
| BRD-K42867405 | HA1E | trt_cp | down | -0.3585183 | 0.0000279 | 0.0012156 | -1.3215575 | -96.25167 | 2241 | -1.1963927 | 103 | 100 | NA | NA | 2482839 |
| BRL-37344 | HA1E | trt_cp | down | -0.3547009 | 0.0000283 | 0.0012156 | -1.3074860 | -94.51138 | 2241 | -0.0269097 | 103 | 100 | ADRB1; ADRB2; ADRB3 | Adrenergic receptor agonist | 9841972 |
| BRD-K87964538 | HA1E | trt_cp | down | -0.3540805 | 0.0000284 | 0.0012156 | -1.3051991 | -96.25167 | 2241 | -0.0181829 | 103 | 100 | NA | NA | 665518 |
| raloxifene | HA1E | trt_cp | down | -0.3518824 | 0.0000287 | 0.0012156 | -1.2970966 | -95.76082 | 2241 | 0.0000000 | 103 | 100 | ACVRL1; AOX1; BGLAP; EBP; ENG; ESR1; ESR2; PTGR1; RAC1; SERPINB9; SHBG; TFF1 | Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM) | 5035 |
| pifithrin-mu | HA1E | trt_cp | down | -0.3507062 | 0.0000289 | 0.0012156 | -1.2927606 | -87.72869 | 2241 | 0.0000000 | 103 | 100 | HSPA1A; TP53 | HSP inhibitor | 327653 |
| sulfafurazole | HA1E | trt_cp | down | -0.3488846 | 0.0000294 | 0.0012156 | -1.2860461 | -83.44489 | 2241 | 0.0000000 | 103 | 100 | NA | Bacterial antifolate | 5344 |
| BRD-K78716413 | HA1E | trt_cp | down | -0.3468339 | 0.0000299 | 0.0012156 | -1.2784869 | -93.84203 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 952391 |
| calcipotriol | HA1E | trt_cp | down | -0.3376940 | 0.0000352 | 0.0012347 | -1.2447955 | -88.44266 | 2241 | 0.0000000 | 103 | 100 | BGLAP; GC; VDR | Vitamin D receptor agonist | 5353464 |
| ICI-204448 | HA1E | trt_cp | down | -0.3353956 | 0.0000391 | 0.0012623 | -1.2363234 | -77.86702 | 2241 | -0.0247265 | 103 | 100 | OPRK1 | Opioid receptor agonist | 3683 |
| E-4031 | HA1E | trt_cp | down | -0.3352147 | 0.0000391 | 0.0012623 | -1.2356566 | -94.19902 | 2241 | 0.0000000 | 103 | 100 | KCNH1; KCNH2 | Potassium channel blocker | 3185 |
| UCL-2077 | HA1E | trt_cp | down | -0.3347373 | 0.0000391 | 0.0012623 | -1.2338966 | -88.21954 | 2241 | -0.0275458 | 103 | 100 | NA | Slow after hyperpolarization channel blocker | 24868317 |
| ML-3163 | HA1E | trt_cp | down | -0.3332825 | 0.0000420 | 0.0012897 | -1.2285341 | -94.64525 | 2241 | 0.0000000 | 103 | 100 | CYP2D6; CYP3A4; MAPK11; MAPK12; MAPK14 | p38 MAPK inhibitor | 23748533 |
| RU-28318 | HA1E | trt_cp | down | -0.3324965 | 0.0000438 | 0.0013031 | -1.2256369 | -94.10977 | 2241 | -0.0174377 | 103 | 100 | NR3C2 | Cytochrome P450 inhibitor | 3034004 |
| PETCM | HA1E | trt_cp | down | -0.3319639 | 0.0000438 | 0.0013031 | -1.2236735 | -90.89692 | 2241 | 0.0000000 | 103 | 100 | CASP3 | Caspase activator | 224859 |
| TPCA-1 | HA1E | trt_cp | down | -0.3312312 | 0.0000458 | 0.0013384 | -1.2209725 | -85.18519 | 2241 | 0.0000000 | 103 | 100 | CDC42BPB; EPHB1; IKBKB; MAP3K9; NTRK3; NUAK1; RET; TNK2; TYK2 | IKK inhibitor | 9903786 |
| JAS07-003 | HA1E | trt_cp | down | -0.3299405 | 0.0000480 | 0.0013716 | -1.2162149 | -91.12004 | 2241 | -0.0227555 | 103 | 100 | NA | NA | 24747274 |
| ergometrine | HA1E | trt_cp | down | -0.3291657 | 0.0000503 | 0.0014119 | -1.2133590 | -72.11066 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; HTR1E | Adrenergic receptor agonist; Serotonin receptor agonist | 3250 |
| BRD-K37061750 | HA1E | trt_cp | down | -0.3281776 | 0.0000531 | 0.0014509 | -1.2097167 | -94.91299 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 3538139 |
| tamoxifen | HA1E | trt_cp | down | -0.3270534 | 0.0000560 | 0.0015035 | -1.2055727 | -82.68630 | 2241 | 0.0000000 | 103 | 100 | ABCB1; ABCG2; AR; BGLAP; CCND1; CTSD; CYP2C9; CYP3A5; EBP; EBPL; ERBB2; ESR1; ESR2; ESRRG; FMO1; FMO2; FMO3; FMO4; FMO5; GPER1; IGFBP5; KCNH2; NCOR1; NCOR2; NR1I2; ODC1; PRKCA; PRKCB; PRKCE; PRKCG; PRKCI; PRKCZ; SHBG; TGFA; UGT1A4 | Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM) | 2733526 |
| R-96544 | HA1E | trt_cp | down | -0.3266901 | 0.0000560 | 0.0015035 | -1.2042335 | -83.71263 | 2241 | 0.0000000 | 103 | 100 | NA | Serotonin receptor antagonist | 10668211 |
| catechin | HA1E | trt_cp | down | -0.3258462 | 0.0000594 | 0.0015608 | -1.2011229 | -90.18295 | 2241 | 0.0000000 | 103 | 100 | BACE1; CA1; CA12; CA14; CA4; CA6; CA9; FASN; SCN5A | Beta secretase inhibitor; Fatty acid synthase inhibitor; LDL antioxidant | 73160 |
| nitrofural | HA1E | trt_cp | down | -0.3246671 | 0.0000629 | 0.0016127 | -1.1967763 | -92.28023 | 2241 | 0.0181164 | 103 | 100 | NA | Bacterial DNA inhibitor | 5447130 |
| BRD-K76211160 | HA1E | trt_cp | down | -0.3241409 | 0.0000671 | 0.0016769 | -1.1948366 | -93.12807 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 1118253 |
| DR-2313 | HA1E | trt_cp | down | -0.3225363 | 0.0000720 | 0.0017599 | -1.1889219 | -90.67381 | 2241 | 0.0323535 | 103 | 100 | PARP1; PARP3 | PARP inhibitor | 135522417 |
| U-18666A | HA1E | trt_cp | down | -0.3187399 | 0.0000960 | 0.0021658 | -1.1749277 | -70.86122 | 2241 | 0.0285316 | 103 | 100 | NA | Oxidosqualene cyclase inhibitor | 415541 |
| L-693403 | HA1E | trt_cp | down | -0.3165147 | 0.0001118 | 0.0024085 | -1.1667254 | -83.35564 | 2241 | 0.0000000 | 103 | 100 | SIGMAR1 | Sigma receptor agonist; Sigma receptor antagonist | 4687238 |
| mepacrine | HA1E | trt_cp | down | -0.3159070 | 0.0001218 | 0.0025678 | -1.1644850 | -85.36368 | 2241 | 0.0000000 | 103 | 100 | AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53 | Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator | 237 |
| SKI-II | HA1E | trt_cp | down | -0.3157633 | 0.0001218 | 0.0025678 | -1.1639554 | -76.92994 | 2241 | 0.0000000 | 103 | 100 | SPHK1 | NA | 753704 |
| SR-142948 | HA1E | trt_cp | down | -0.3157039 | 0.0001218 | 0.0025678 | -1.1637365 | -80.72289 | 2241 | 0.0000000 | 103 | 100 | NTSR1 | Neurotensin receptor antagonist | 5311451 |
| rosuvastatin | HA1E | trt_cp | down | -0.3156927 | 0.0001218 | 0.0025678 | -1.1636950 | -74.43106 | 2241 | -0.0269258 | 103 | 100 | APOB; CRP; HMGCR; SLCO1B1 | HMGCR inhibitor | 446157 |
| ceramide | HA1E | trt_cp | down | -0.3155460 | 0.0001218 | 0.0025678 | -1.1631543 | -91.47702 | 2241 | 0.0000000 | 103 | 100 | NA | Phosphoenolpyruvate carboxylase activator; Serine/threonine protein phosphatase activator | NotFound |
| fipronil | HA1E | trt_cp | down | -0.3150138 | 0.0001317 | 0.0027326 | -1.1611928 | -91.96787 | 2241 | 0.0000000 | 103 | 100 | GABRB3 | Chloride channel blocker; GABA gated chloride channel blocker | 3352 |
| nadolol | HA1E | trt_cp | down | -0.3142591 | 0.0001429 | 0.0028958 | -1.1584106 | -86.03302 | 2241 | -1.0521370 | 103 | 100 | ADRB1; ADRB2; ADRB3 | Adrenergic receptor antagonist | 39147 |
| SC-68376 | HA1E | trt_cp | down | -0.3142110 | 0.0001429 | 0.0028958 | -1.1582335 | -85.67604 | 2241 | 0.0000000 | 103 | 100 | MAPK14 | p38 MAPK inhibitor | 5174 |
| warfarin | HA1E | trt_cp | down | -0.3125361 | 0.0001554 | 0.0030899 | -1.1520593 | -92.23561 | 2241 | 0.0000000 | 103 | 100 | ARSE; CYP2C8; CYP2C9; CYP4F2; F3; F7; NR1I2; PROS1; RP11-196G11.1; VKORC1; VKORC1L1 | Vitamin K antagonist | 54678486 |
| PKCbeta-inhibitor | HA1E | trt_cp | down | -0.3103542 | 0.0002002 | 0.0037723 | -1.1440165 | -75.99286 | 2241 | 0.0000000 | 103 | 100 | PRKCB | PKC inhibitor | 6419755 |
| CITCO | HA1E | trt_cp | down | -0.3100727 | 0.0002002 | 0.0037723 | -1.1429788 | -82.86479 | 2241 | 0.0000000 | 103 | 100 | NR1I3 | CAR agonist | 9600409 |
| moexipril | HA1E | trt_cp | down | -0.3091853 | 0.0002197 | 0.0040606 | -1.1397079 | -73.49398 | 2241 | -0.9762176 | 103 | 100 | ACE; ACE2 | ACE inhibitor | 91270 |
| PD-123319 | HA1E | trt_cp | down | -0.3090261 | 0.0002197 | 0.0040606 | -1.1391209 | -89.11200 | 2241 | 0.0000000 | 103 | 100 | AGTR2 | Angiotensin receptor antagonist | 4701 |
| diloxanide | HA1E | trt_cp | down | -0.3082860 | 0.0002402 | 0.0043618 | -1.1363929 | -92.81571 | 2241 | 0.0000000 | 103 | 100 | NA | Protein synthesis inhibitor | 11367 |
| N20C | HA1E | trt_cp | down | -0.3078178 | 0.0002402 | 0.0043618 | -1.1346669 | -71.48594 | 2241 | -0.7065854 | 103 | 100 | NA | NA | 6603827 |
| melperone | HA1E | trt_cp | down | -0.3062873 | 0.0002885 | 0.0050772 | -1.1290254 | -78.00089 | 2241 | 0.0000000 | 103 | 100 | NA | Dopamine receptor antagonist; Serotonin receptor antagonist | 15387 |
| ICI-118551 | HA1E | trt_cp | down | -0.3057012 | 0.0002885 | 0.0050772 | -1.1268650 | -84.73896 | 2241 | 0.0000000 | 103 | 100 | NA | Adrenergic receptor antagonist | 5484725 |
| DMeOB | HA1E | trt_cp | down | -0.3056999 | 0.0002885 | 0.0050772 | -1.1268601 | -72.28916 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 6891506 |
| CHEMBL-374350 | HA1E | trt_cp | down | -0.3051800 | 0.0003168 | 0.0054728 | -1.1249439 | -73.89558 | 2241 | 0.0000000 | 103 | 100 | NA | NFkB pathway inhibitor | 2858523 |
| leucodin | HA1E | trt_cp | down | -0.3038665 | 0.0003477 | 0.0059005 | -1.1201018 | -86.30076 | 2241 | -1.1226310 | 103 | 100 | NA | Melanin inhibitor | 167683 |
| luzindole | HA1E | trt_cp | down | -0.3037877 | 0.0003477 | 0.0059005 | -1.1198115 | -86.56850 | 2241 | 0.0000000 | 103 | 100 | MTNR1A; MTNR1B | Melatonin receptor antagonist | 122162 |
| atorvastatin | HA1E | trt_cp | down | -0.3035556 | 0.0003477 | 0.0059005 | -1.1189558 | -73.09237 | 2241 | -0.6734782 | 103 | 100 | AHR; APOA1; APOB; APOE; CCL2; CD40LG; CETP; CRP; CYP3A5; DPP4; FASLG; HMGCR; IL6; LDLR; LPL; MTTP; PON1; RHOA; SERPINE1; SLCO1B1; VCAM1 | HMGCR inhibitor | 2250 |
| UNC-0321 | HA1E | trt_cp | down | -0.3031101 | 0.0003811 | 0.0063566 | -1.1173136 | -88.21954 | 2241 | 0.0000000 | 103 | 100 | EHMT2 | Histone lysine methyltransferase inhibitor | 46901937 |
| lawsone | HA1E | trt_cp | down | -0.3023669 | 0.0004167 | 0.0068248 | -1.1145741 | -80.58902 | 2241 | 0.0000000 | 103 | 100 | NA | Coloring agent | 10125107 |
| dihydrodeoxygedunin | HA1E | trt_cp | down | -0.3012000 | 0.0004571 | 0.0073269 | -1.1102729 | -74.02945 | 2241 | 0.0000000 | 103 | 100 | NTRK2 | Growth factor receptor activator | 6708636 |
| ZD-7114 | HA1E | trt_cp | down | -0.3010140 | 0.0004571 | 0.0073269 | -1.1095871 | -81.25837 | 2241 | 0.0202465 | 103 | 100 | ADRB3 | Adrenergic receptor agonist | 121877 |
| SC-560 | HA1E | trt_cp | down | -0.3005120 | 0.0004571 | 0.0073269 | -1.1077368 | -73.94021 | 2241 | 0.0000000 | 103 | 100 | NA | Cyclooxygenase inhibitor | 4306515 |
| tetrabenazine | HA1E | trt_cp | down | -0.3002455 | 0.0005021 | 0.0079110 | -1.1067543 | -83.22178 | 2241 | 0.0000000 | 103 | 100 | SLC18A1; SLC18A2 | Vesicular monoamine transporter inhibitor | 6018 |
| BRD-K21001652 | HA1E | trt_cp | down | -0.2989836 | 0.0005486 | 0.0085083 | -1.1021026 | -83.04328 | 2241 | -0.6517460 | 103 | 100 | NA | NA | 54636786 |
| quercetagetin | HA1E | trt_cp | down | -0.2986488 | 0.0005486 | 0.0085083 | -1.1008684 | -80.05355 | 2241 | -1.0603397 | 103 | 100 | MAPK8; PIM1 | PIM inhibitor | 386331 |
| U-54494A | HA1E | trt_cp | down | -0.2983401 | 0.0006023 | 0.0091565 | -1.0997309 | -88.71040 | 2241 | 0.0000000 | 103 | 100 | NA | Opioid receptor agonist | 122015 |
| MRS-1845 | HA1E | trt_cp | down | -0.2973108 | 0.0006601 | 0.0098458 | -1.0959366 | -84.78358 | 2241 | 0.0000000 | 103 | 100 | ORAI1 | Calcium channel blocker | 5202074 |
| PIT | HA1E | trt_cp | down | -0.2970664 | 0.0006601 | 0.0098458 | -1.0950355 | -61.26729 | 2241 | 0.0000000 | 103 | 100 | P2RY1 | Purinergic receptor antagonist | 124334 |
| BRD-K98297262 | HA1E | trt_cp | down | -0.2967489 | 0.0006601 | 0.0098458 | -1.0938654 | -82.55243 | 2241 | 0.0000000 | 103 | 100 | NA | NA | NotFound |
| tyrphostin-AG-835 | HA1E | trt_cp | down | -0.2966031 | 0.0006601 | 0.0098458 | -1.0933277 | -65.77421 | 2241 | -0.0294218 | 103 | 100 | EGFR | Protein tyrosine kinase inhibitor | 5328769 |
| WAY-213613 | HA1E | trt_cp | down | -0.2965904 | 0.0006601 | 0.0098458 | -1.0932809 | -76.92994 | 2241 | 0.0000000 | 103 | 100 | SLC1A2 | Glutamate inhibitor | 24868316 |
| BMS-641988 | HA1E | trt_cp | down | -0.2959943 | 0.0007223 | 0.0105304 | -1.0910836 | -79.29496 | 2241 | -0.9916484 | 103 | 100 | AR | Androgen receptor antagonist | 24768935 |
| auraptene | HA1E | trt_cp | down | -0.2959305 | 0.0007223 | 0.0105304 | -1.0908486 | -79.47345 | 2241 | 0.0000000 | 103 | 100 | MAOB | Nitric oxide production inhibitor | 1550607 |
| WAY-161503 | HA1E | trt_cp | down | -0.2958205 | 0.0007223 | 0.0105304 | -1.0904431 | -82.19545 | 2241 | -0.0168784 | 103 | 100 | NA | Serotonin receptor agonist | 3906894 |
| atovaquone | HA1E | trt_cp | down | -0.2956460 | 0.0007223 | 0.0105304 | -1.0897996 | -83.26640 | 2241 | -0.0203386 | 103 | 100 | DHODH | Mitochondrial electron transport inhibitor | 44483269 |
| BRD-K25150581 | HA1E | trt_cp | down | -0.2955352 | 0.0007223 | 0.0105304 | -1.0893914 | -87.05935 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 12179987 |
| rathyronine | HA1E | trt_cp | down | -0.2941478 | 0.0008647 | 0.0122010 | -1.0842773 | -85.80991 | 2241 | -0.0108428 | 103 | 100 | NA | NA | 861 |
| RS-79948 | HA1E | trt_cp | down | -0.2937509 | 0.0008647 | 0.0122010 | -1.0828140 | -86.39000 | 2241 | -0.0130204 | 103 | 100 | NA | Adrenergic receptor antagonist | 9908992 |
| SA-97378 | NKDBA | trt_cp | down | -0.2937382 | 0.0008647 | 0.0122010 | -1.1863368 | NA | 229 | -0.7948457 | 103 | 100 | NA | NA | 44494796 |
| tyrphostin-AG-82 | HA1E | trt_cp | down | -0.2932295 | 0.0009442 | 0.0130625 | -1.0808920 | -77.51004 | 2241 | 0.0000000 | 103 | 100 | EGFR; LCK | EGFR inhibitor | NotFound |
| L-690488 | HA1E | trt_cp | down | -0.2929772 | 0.0009442 | 0.0130625 | -1.0799622 | -77.95627 | 2241 | 0.0000000 | 103 | 100 | IMPA1 | Inositol monophosphatase inhibitor | 5132514 |
| rhodomyrtoxin-b | HA1E | trt_cp | down | -0.2925552 | 0.0009442 | 0.0130625 | -1.0784065 | -58.58992 | 2241 | 0.0000000 | 103 | 100 | NA | sodium fluorescein uptake inhibitor | 3270699 |
| PD-98059 | HA1E | trt_cp | down | -0.2923373 | 0.0010317 | 0.0139323 | -1.0776035 | -77.95627 | 2241 | 0.0000000 | 103 | 100 | AKT1; CHEK1; GSK3B; LCK; MAP2K1; MAP2K2; MAPK11; MAPK12; MAPK14; MAPK3; MAPK8; PRKCA; RAF1; ROCK1; RPS6KB1; SGK1 | MAP kinase inhibitor; MEK inhibitor | 4713 |
| indirubin | HA1E | trt_cp | down | -0.2918104 | 0.0010317 | 0.0139323 | -1.0756612 | -86.61312 | 2241 | 0.0000000 | 103 | 100 | AHR; CCNE1; CDK1; CDK2; CDK4; CDK5; CDK5R1; CDK9; CYP1A1; GSK3A; GSK3B; LCK; LRRK1; LRRK2 | CDK inhibitor; Glycogen synthase kinase inhibitor; Leucine rich repeat kinase inhibitor; Serum/glucocorticoid regulated kinase inhibitor; SRC inhibitor | 10177 |
| SA-1472514 | NKDBA | trt_cp | down | -0.2916924 | 0.0010317 | 0.0139323 | -1.1780745 | NA | 229 | -0.7893099 | 103 | 100 | NA | NA | 54654640 |
| exemestane | HA1E | trt_cp | down | -0.2909888 | 0.0011282 | 0.0149929 | -1.0726327 | -80.41053 | 2241 | 0.0000000 | 103 | 100 | CYP19A1 | Aromatase inhibitor | 60198 |
| clomipramine | HA1E | trt_cp | down | -0.2901991 | 0.0012294 | 0.0160097 | -1.0697214 | -74.25257 | 2241 | 0.0000000 | 103 | 100 | HTR2B; SLC6A2; SLC6A3; SLC6A4 | Serotonin transporter inhibitor (SERT) | 2801 |
| berbamine | HA1E | trt_cp | down | -0.2883721 | 0.0014655 | 0.0185120 | -1.0629870 | -70.77198 | 2241 | 0.0000000 | 103 | 100 | CALM1 | Calmodulin antagonist | 275182 |
| SANT-1 | HA1E | trt_cp | down | -0.2869220 | 0.0015986 | 0.0198720 | -1.0576416 | -69.43329 | 2241 | -0.0248059 | 103 | 100 | DHH; IHH; PTCH1; SMO | Smoothened receptor antagonist | 6878030 |
| anabasine | HA1E | trt_cp | down | -0.2864344 | 0.0017460 | 0.0212842 | -1.0558442 | -77.59929 | 2241 | 0.0000000 | 103 | 100 | NA | Acetylcholine receptor agonist | 2181 |
| BRD-K73143528 | HA1E | trt_cp | down | -0.2855058 | 0.0017460 | 0.0212842 | -1.0524213 | -83.31102 | 2241 | -0.0181114 | 103 | 100 | NA | NA | 2013455 |
| BRD-K12707296 | HA1E | trt_cp | down | -0.2854074 | 0.0019031 | 0.0228001 | -1.0520585 | -85.05132 | 2241 | -0.0153947 | 103 | 100 | NA | NA | 2321431 |
| L-745870 | HA1E | trt_cp | down | -0.2848064 | 0.0019031 | 0.0228001 | -1.0498431 | -80.90138 | 2241 | 0.0000000 | 103 | 100 | DRD1; DRD3; DRD4; HTR6; HTR7 | Dopamine receptor antagonist | 5311200 |
| naftifine | HA1E | trt_cp | down | -0.2835783 | 0.0020710 | 0.0244041 | -1.0453163 | -56.58188 | 2241 | 0.0000000 | 103 | 100 | SQLE | Fungal squalene epoxidase inhibitor | 47641 |
| BRD-K76293260 | HA1E | trt_cp | down | -0.2833918 | 0.0022521 | 0.0261693 | -1.0446288 | -70.28112 | 2241 | -0.9402434 | 103 | 100 | NA | NA | 6433346 |
| CGS-12066B | HA1E | trt_cp | down | -0.2832601 | 0.0022521 | 0.0261693 | -1.0441433 | -71.84293 | 2241 | 0.0000000 | 103 | 100 | HTR1B; HTR1D; HTR2B | Serotonin receptor agonist | 9915956 |
| kynuramine | HA1E | trt_cp | down | -0.2830204 | 0.0022521 | 0.0261693 | -1.0432599 | -70.77198 | 2241 | 0.0000000 | 103 | 100 | NA | Aryl hydrocarbon receptor activator | 4990100 |
| fusaric-acid | HA1E | trt_cp | down | -0.2820756 | 0.0024484 | 0.0279549 | -1.0397770 | -72.86925 | 2241 | 0.0270647 | 103 | 100 | DBH | Dopamine beta hydroxylase inhibitor | 3442 |
| RS-67506 | HA1E | trt_cp | down | -0.2820016 | 0.0024484 | 0.0279549 | -1.0395041 | -77.19768 | 2241 | -0.0311851 | 103 | 100 | HTR4 | Serotonin receptor partial agonist | 133076 |
| BRD-K28112517 | HA1E | trt_cp | down | -0.2818020 | 0.0024484 | 0.0279549 | -1.0387684 | -56.09103 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 976135 |
| NAN-190 | HA1E | trt_cp | down | -0.2817153 | 0.0024484 | 0.0279549 | -1.0384490 | -67.29139 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; ADRA1B; ADRA1D; HTR1F | Serotonin receptor agonist | 4431 |
| evoxine | HA1E | trt_cp | down | -0.2814521 | 0.0026642 | 0.0300456 | -1.0374789 | -71.44132 | 2241 | 0.0000000 | 103 | 100 | NA | Furoquinoline alkaloid | 673465 |
| SA-101686 | NKDBA | trt_cp | down | -0.2807751 | 0.0026642 | 0.0300456 | -1.1339820 | NA | 229 | -0.7597679 | 103 | 100 | NA | NA | 44502203 |
| L-655708 | HA1E | trt_cp | down | -0.2796269 | 0.0028932 | 0.0321156 | -1.0307509 | -81.43686 | 2241 | -0.0206150 | 103 | 100 | GABRA2; GABRA3; GABRA5; GABRG2 | GABA receptor inverse agonist | 5311203 |
| fulvestrant | HA1E | trt_cp | down | -0.2791329 | 0.0031381 | 0.0342313 | -1.0289297 | -83.57876 | 2241 | 0.0000000 | 103 | 100 | CCND1; EPHX2; ESR1; ESR2; ESRRA; GPER1; RB1 | Estrogen receptor antagonist | 73707501 |
| IAA-94 | HA1E | trt_cp | down | -0.2786544 | 0.0031381 | 0.0342313 | -1.0271661 | -72.95850 | 2241 | -0.7042856 | 103 | 100 | NA | Chloride channel blocker | 656717 |
| BML-190 | HA1E | trt_cp | down | -0.2779730 | 0.0034056 | 0.0366439 | -1.0246542 | -77.95627 | 2241 | 0.0000000 | 103 | 100 | CNR2 | Cannabinoid receptor inverse agonist | 2415 |
| fluperlapine | HA1E | trt_cp | down | -0.2773585 | 0.0036926 | 0.0390738 | -1.0223890 | -77.59929 | 2241 | -0.0209325 | 103 | 100 | HTR6; HTR7 | Serotonin receptor antagonist | 49381 |
| SA-1460110 | NKDBA | trt_cp | down | -0.2772314 | 0.0036926 | 0.0390738 | -1.1196699 | NA | 229 | -0.7501789 | 103 | 100 | NA | NA | 54657753 |
| coumaric-acid | HA1E | trt_cp | down | -0.2770591 | 0.0036926 | 0.0390738 | -1.0212856 | -81.97233 | 2241 | -0.0231901 | 103 | 100 | NA | Antioxidant | NotFound |
| metergoline | HA1E | trt_cp | down | -0.2769892 | 0.0036926 | 0.0390738 | -1.0210278 | -69.92414 | 2241 | 0.3360072 | 103 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A | Dopamine receptor agonist; Serotonin receptor antagonist | 28693 |
| progesterone | HA1E | trt_cp | down | -0.2767905 | 0.0036926 | 0.0390738 | -1.0202954 | -69.56716 | 2241 | 0.0000000 | 103 | 100 | AKR1C1; AKR1C2; AKR1D1; APOD; AR; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CATSPERB; CATSPERD; CATSPERG; CGA; CYP11B1; CYP17A1; CYP21A2; ESR1; GNAI1; GNAS; GNGT1; HRAS; HSD3B1; HSD3B2; HVCN1; KCNU1; LHB; NR1I2; NR3C1; NR3C2; OPRK1; ORM1; PAQR5; PGR; SERPINA6; SHBG; SRD5A1; SRD5A3; TRPC5 | Progesterone receptor agonist | 5994 |
| BRD-K44878494 | HA1E | trt_cp | down | -0.2766819 | 0.0036926 | 0.0390738 | -1.0198951 | -76.52834 | 2241 | -0.0203979 | 103 | 100 | NA | NA | 24747232 |
| vinpocetine | HA1E | trt_cp | down | -0.2766532 | 0.0036926 | 0.0390738 | -1.0197891 | -76.52834 | 2241 | 0.0000000 | 103 | 100 | PDE1A; PDE1C; SCN10A | Phosphodiesterase inhibitor; Sodium channel blocker | 5673 |
| mephenytoin | HA1E | trt_cp | down | -0.2764339 | 0.0040006 | 0.0417087 | -1.0189810 | -74.65417 | 2241 | 0.0000000 | 103 | 100 | NR1I2; SCN5A | Hydantoin antiepileptic | 4060 |
| butein | HA1E | trt_cp | down | -0.2761250 | 0.0040006 | 0.0417087 | -1.0178422 | -63.67693 | 2241 | -0.0305353 | 103 | 100 | ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF | EGFR inhibitor; SRC inhibitor | 5281222 |
| iopanoic-acid | HA1E | trt_cp | down | -0.2757124 | 0.0040006 | 0.0417087 | -1.0163214 | -71.26283 | 2241 | -0.0242857 | 103 | 100 | NA | Radiopaque medium | 3735 |
| chlortetracycline | HA1E | trt_cp | down | -0.2755925 | 0.0040006 | 0.0417087 | -1.0158792 | -74.29719 | 2241 | -0.0203176 | 103 | 100 | NA | Protein synthesis inhibitor | 73707519 |
| ramipril | HA1E | trt_cp | down | -0.2749717 | 0.0043300 | 0.0443478 | -1.0135909 | -85.05132 | 2241 | 0.0000000 | 103 | 100 | ACE; BDKRB1 | ACE inhibitor | 5362129 |
| mitotane | HA1E | trt_cp | down | -0.2749698 | 0.0043300 | 0.0443478 | -1.0135839 | -57.60821 | 2241 | 0.0000000 | 103 | 100 | AR; CYP11A1; CYP11B1; CYP3A4; ESR1; FDX1; PGR | Antineoplastic | 4211 |
| BRD-A55554369 | HA1E | trt_cp | down | -0.2749490 | 0.0043300 | 0.0443478 | -1.0135072 | -76.66220 | 2241 | -0.0202701 | 103 | 100 | NA | NA | 4870494 |
| AMN-082 | HA1E | trt_cp | down | -0.2746453 | 0.0043300 | 0.0443478 | -1.0123878 | -54.70772 | 2241 | 0.0000000 | 103 | 100 | GRM7 | Glutamate receptor modulator; Glutamate receptor positive allosteric modulator | 1894361 |
| deltaline | HA1E | trt_cp | down | -0.2740617 | 0.0046813 | 0.0473550 | -1.0102364 | -84.33735 | 2241 | 0.0000000 | 103 | 100 | CHRNA7 | Acetylcholine receptor antagonist | 441728 |
| GBR-12935 | HA1E | trt_cp | down | -0.2738460 | 0.0046813 | 0.0473550 | -1.0094415 | -69.52253 | 2241 | 0.7309211 | 103 | 100 | AGTR1; SLC6A3 | Dopamine uptake inhibitor | 3456 |
| JTE-013 | HA1E | trt_cp | down | -0.2735321 | 0.0046813 | 0.0473550 | -1.0082842 | -76.30522 | 2241 | 0.0000000 | 103 | 100 | P2RY10; S1PR2 | Lysophospholipid receptor antagonist | 10223146 |
| PD-169316 | HA1E | trt_cp | down | -0.2726817 | 0.0050660 | 0.0503491 | -1.0051495 | -71.66444 | 2241 | 0.0101941 | 103 | 100 | ALOX5 | p38 MAPK inhibitor | 4712 |
| SC-9 | HA1E | trt_cp | down | -0.2716155 | 0.0054722 | 0.0536889 | -1.0012196 | -50.95939 | 2241 | -0.0252467 | 103 | 100 | NA | Protein tyrosine kinase activator | 124172 |
| isonicotinohydroxamic-acid | HA1E | trt_cp | down | -0.2715919 | 0.0054722 | 0.0536889 | -1.0011325 | -82.24007 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 72967 |
| oxfendazole | HA1E | trt_cp | down | -0.2715788 | 0.0054722 | 0.0536889 | -1.0010842 | -70.01339 | 2241 | -0.0285699 | 103 | 100 | NA | Anthelmintic | 40854 |
| DAPT-GSI-IX | HA1E | trt_cp | down | -0.2706091 | 0.0059111 | 0.0571773 | -0.9975096 | -72.91388 | 2241 | 0.0000000 | 103 | 100 | NA | Gamma secretase inhibitor | NotFound |
| tyrphostin-AG-538 | HA1E | trt_cp | down | -0.2701318 | 0.0063767 | 0.0607224 | -0.9957504 | -68.76394 | 2241 | 0.0000000 | 103 | 100 | EGFR | IGF-1 inhibitor | 5328760 |
| BRD-K37372998 | HA1E | trt_cp | down | -0.2699993 | 0.0063767 | 0.0607224 | -0.9952620 | -70.28112 | 2241 | -0.0199052 | 103 | 100 | NA | NA | 24747160 |
| halcinonide | HA1E | trt_cp | down | -0.2690432 | 0.0068820 | 0.0646108 | -0.9917374 | -67.11290 | 2241 | 0.0000000 | 103 | 100 | NR3C1; SMO | Glucocorticoid receptor agonist | 73707616 |
| PP-3 | HA1E | trt_cp | down | -0.2689827 | 0.0068820 | 0.0646108 | -0.9915143 | -70.54886 | 2241 | 0.0000000 | 103 | 100 | NA | EGFR inhibitor | 4879 |
| piperine | HA1E | trt_cp | down | -0.2687161 | 0.0068820 | 0.0646108 | -0.9905318 | -73.13699 | 2241 | -0.0219355 | 103 | 100 | MAOA; MAOB; NR1I2; TRPV1 | Monoamine oxidase inhibitor | 638024 |
| ZD-2079 | HA1E | trt_cp | down | -0.2686851 | 0.0068820 | 0.0646108 | -0.9904173 | -68.45158 | 2241 | -0.0238254 | 103 | 100 | ADRB3 | Adrenergic receptor agonist | 158794 |
| phenylalanyltyrosine | HA1E | trt_cp | down | -0.2685518 | 0.0068820 | 0.0646108 | -0.9899263 | -66.97903 | 2241 | -0.0197985 | 103 | 100 | NA | NA | 515709 |
| prunetin | HA1E | trt_cp | down | -0.2682707 | 0.0074167 | 0.0686906 | -0.9888898 | -74.65417 | 2241 | -0.0098889 | 103 | 100 | ABCG2; ALDH2 | Breast cancer resistance protein inhibitor | 5281804 |
| propoxycaine | HA1E | trt_cp | down | -0.2681485 | 0.0074167 | 0.0686906 | -0.9884393 | -66.53280 | 2241 | 0.0000000 | 103 | 100 | NA | Local anesthetic | 6843 |
| prothionamide | HA1E | trt_cp | down | -0.2673762 | 0.0079852 | 0.0728252 | -0.9855926 | -67.29139 | 2241 | -0.0236327 | 103 | 100 | NA | Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor | 666418 |
| flavokavain-b | HA1E | trt_cp | down | -0.2667516 | 0.0079852 | 0.0728252 | -0.9832903 | -60.24096 | 2241 | 0.0311313 | 103 | 100 | HIF1A | Antineoplastic | 5356121 |
| MR-16728 | HA1E | trt_cp | down | -0.2663345 | 0.0085974 | 0.0775773 | -0.9817529 | -51.80723 | 2241 | 0.0000000 | 103 | 100 | NA | Acetylcholine release enhancer; Acetylcholine release stimulant | 378811 |
| ivermectin | HA1E | trt_cp | down | -0.2661866 | 0.0085974 | 0.0775773 | -0.9812075 | -59.66087 | 2241 | 0.3322484 | 103 | 100 | CHRNA7; GABRB3; GLRA3; P2RX7 | GABA receptor agonist | 45114068 |
| alfadolone-acetate | HA1E | trt_cp | down | -0.2654218 | 0.0092511 | 0.0825040 | -0.9783885 | -70.41499 | 2241 | -0.0254773 | 103 | 100 | NA | NA | 24733 |
| fluocinolone-acetonide | HA1E | trt_cp | down | -0.2653984 | 0.0092511 | 0.0825040 | -0.9783021 | -77.73315 | 2241 | -0.0162416 | 103 | 100 | NA | NA | 6215 |
| emodic-acid | HA1E | trt_cp | down | -0.2652762 | 0.0092511 | 0.0825040 | -0.9778516 | -65.90808 | 2241 | 0.9401579 | 103 | 100 | NA | Laxative | 361510 |
| naringin | HA1E | trt_cp | down | -0.2644682 | 0.0099400 | 0.0874763 | -0.9748733 | -72.11066 | 2241 | -0.0129585 | 103 | 100 | SLCO1A2 | Cytochrome P450 inhibitor | 442428 |
| reserpine | HA1E | trt_cp | down | -0.2641749 | 0.0099400 | 0.0874763 | -0.9737923 | -64.88175 | 2241 | -0.8134958 | 103 | 100 | ABCG2; BIRC5; DBH; PNMT; SLC18A1; SLC18A2; TH | Vesicular monoamine transporter inhibitor | 11908593 |
| BRD-K53011428 | HA1E | trt_cp | down | -0.2640689 | 0.0099400 | 0.0874763 | -0.9734014 | -66.35431 | 2241 | -0.0194680 | 103 | 100 | NA | NA | 1257201 |
| BRD-K59761766 | HA1E | trt_cp | down | -0.2638053 | 0.0099400 | 0.0874763 | -0.9724298 | -70.54886 | 2241 | -0.0194486 | 103 | 100 | NA | NA | 2819767 |
| hispidin | HA1E | trt_cp | down | -0.2635023 | 0.0099400 | 0.0874763 | -0.9713128 | -61.17805 | 2241 | 0.0000000 | 103 | 100 | PREP; PRKCB | PKC inhibitor | 5353671 |
| BRD-K22006123 | HA1E | trt_cp | down | -0.2632650 | 0.0106731 | 0.0926154 | -0.9704379 | -59.12539 | 2241 | -0.0164102 | 103 | 100 | NA | NA | 24747212 |
| SA-1459020 | NKDBA | trt_cp | down | -0.2631536 | 0.0106731 | 0.0926154 | -1.0628133 | NA | 229 | -0.6650146 | 103 | 100 | NA | NA | 54657758 |
| BRD-K24632213 | HA1E | trt_cp | down | -0.2628818 | 0.0106731 | 0.0926154 | -0.9690255 | -74.47568 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 814607 |
| BRD-K21640605 | HA1E | trt_cp | down | -0.2624552 | 0.0114617 | 0.0981981 | -0.9674530 | -69.03168 | 2241 | -0.7431240 | 103 | 100 | NA | NA | 665093 |
| SA-440772 | NKDBA | trt_cp | down | -0.2623475 | 0.0114617 | 0.0981981 | -1.0595573 | NA | 229 | -0.4032394 | 103 | 100 | NA | NA | 44495084 |
| dicyclohexylurea | HA1E | trt_cp | down | -0.2616551 | 0.0114617 | 0.0981981 | -0.9645036 | -58.90228 | 2241 | -0.0289351 | 103 | 100 | EPHX2 | Epoxide hydolase inhibitor | 4277 |
| indirubin-3-monoxime | HA1E | trt_cp | down | -0.2615170 | 0.0114617 | 0.0981981 | -0.9639947 | -66.71129 | 2241 | -0.0221783 | 103 | 100 | NA | NA | 3707 |
| dilazep | HA1E | trt_cp | down | -0.2609802 | 0.0122900 | 0.1039574 | -0.9620158 | -61.44578 | 2241 | -0.6415199 | 103 | 100 | CACNA1C; SLC29A1 | Adenosine reuptake inhibitor | 3074 |
| BRD-K93367411 | HA1E | trt_cp | down | -0.2608003 | 0.0122900 | 0.1039574 | -0.9613529 | -55.42169 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 40482356 |
| ibuprofen | HA1E | trt_cp | down | -0.2605776 | 0.0122900 | 0.1039574 | -0.9605320 | -67.91611 | 2241 | -0.9607160 | 103 | 100 | ACSM2A; AKR1C2; AKR1C3; APP; ASIC1; BCL2; CFTR; CYP2C8; CYP2C9; FABP2; FABP4; GP1BA; LTF; PLAT; PPARA; PPARG; S100A7; SLC5A8; TF; THBD | Cyclooxygenase inhibitor; NFkB pathway inhibitor | 3672 |
| phenazopyridine | HA1E | trt_cp | down | -0.2605403 | 0.0122900 | 0.1039574 | -0.9603945 | -61.04418 | 2241 | -0.9668111 | 103 | 100 | SCN1A | Local anesthetic | 8691 |
| SR-57227A | HA1E | trt_cp | down | -0.2599989 | 0.0131762 | 0.1100757 | -0.9583989 | -49.97769 | 2241 | 0.0000000 | 103 | 100 | HTR3A | Serotonin receptor agonist | 131746 |
| BRD-K10355322 | HA1E | trt_cp | down | -0.2599486 | 0.0131762 | 0.1100757 | -0.9582135 | -73.00312 | 2241 | -0.0191643 | 103 | 100 | NA | NA | 5823053 |
| GR-135531 | HA1E | trt_cp | down | -0.2598690 | 0.0131762 | 0.1100757 | -0.9579199 | -79.83043 | 2241 | -0.0191584 | 103 | 100 | NA | Melatonin receptor agonist | 4284525 |
| betamethasone-acetate | HA1E | trt_cp | down | -0.2598497 | 0.0131762 | 0.1100757 | -0.9578488 | -64.16778 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 443967 |
| SA-97259 | NKDBA | trt_cp | down | -0.2589766 | 0.0141064 | 0.1163871 | -1.0459431 | NA | 229 | 0.6096490 | 103 | 100 | NA | NA | 44500706 |
| meclizine | HA1E | trt_cp | down | -0.2583214 | 0.0150962 | 0.1229198 | -0.9522152 | -64.52477 | 2241 | 0.0000000 | 103 | 100 | NR1I3 | NA | 92303 |
| carbacyclin | HA1E | trt_cp | down | -0.2582160 | 0.0150962 | 0.1229198 | -0.9518265 | -75.81437 | 2241 | 0.0000000 | 103 | 100 | PPARD; PTGDR; PTGER1; PTGER2; PTGER3; PTGER4; PTGFR; PTGIR; TBXA2R | IP receptor activator; PPAR receptor agonist | 5311242 |
| nafadotride | HA1E | trt_cp | down | -0.2580643 | 0.0150962 | 0.1229198 | -0.9512673 | -79.60732 | 2241 | -0.0265991 | 103 | 100 | DRD3 | Dopamine receptor antagonist | 3408722 |
| cilastatin | HA1E | trt_cp | down | -0.2573841 | 0.0161437 | 0.1295893 | -0.9487600 | -63.09683 | 2241 | 0.0000000 | 103 | 100 | DPEP1 | Dehydropeptidase inhibitor | 6435415 |
| BRD-K03552198 | HA1E | trt_cp | down | -0.2572617 | 0.0161437 | 0.1295893 | -0.9483089 | -64.74788 | 2241 | -0.9493239 | 103 | 100 | NA | NA | 1562008 |
| ephedrine-(racemic) | HA1E | trt_cp | down | -0.2571581 | 0.0161437 | 0.1295893 | -0.9479269 | -70.81660 | 2241 | 0.0000000 | 103 | 100 | NA | NA | NotFound |
| purvalanol-b | HA1E | trt_cp | down | -0.2569570 | 0.0161437 | 0.1295893 | -0.9471859 | -59.70549 | 2241 | -0.7521585 | 103 | 100 | CDK2; CDK4; CDK5; MAPK3; SRPK2 | Tyrosine kinase inhibitor | 448991 |
| FR-122047 | HA1E | trt_cp | down | -0.2565435 | 0.0161437 | 0.1295893 | -0.9456617 | -64.07854 | 2241 | -0.0283699 | 103 | 100 | NA | Cyclooxygenase inhibitor | 196841 |
| BW-723C86 | HA1E | trt_cp | down | -0.2558823 | 0.0172593 | 0.1370126 | -0.9432244 | -53.10129 | 2241 | 0.0000000 | 103 | 100 | HTR2B | Serotonin receptor agonist | 5311036 |
| BRD-A25829966 | HA1E | trt_cp | down | -0.2556822 | 0.0172593 | 0.1370126 | -0.9424865 | -68.80857 | 2241 | -0.0142754 | 103 | 100 | NA | NA | 44537690 |
| BRD-A72069525 | HA1E | trt_cp | down | -0.2552701 | 0.0184416 | 0.1447729 | -0.9409674 | -67.20214 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 551940 |
| haematoxylin-pentaacetate | HA1E | trt_cp | down | -0.2548500 | 0.0184416 | 0.1447729 | -0.9394190 | -66.66667 | 2241 | -0.9426402 | 103 | 100 | NA | NA | 6708558 |
| BRD-A98200599 | HA1E | trt_cp | down | -0.2547754 | 0.0184416 | 0.1447729 | -0.9391442 | -59.17001 | 2241 | -0.0187829 | 103 | 100 | NA | NA | 570188 |
| BRD-K63181962 | HA1E | trt_cp | down | -0.2539064 | 0.0196884 | 0.1526833 | -0.9359407 | -67.15752 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 44142057 |
| BRD-K87657228 | HA1E | trt_cp | down | -0.2534230 | 0.0210094 | 0.1610253 | -0.9341589 | -67.06827 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 44229067 |
| L-168049 | HA1E | trt_cp | down | -0.2528611 | 0.0210094 | 0.1610253 | -0.9320875 | -66.30968 | 2241 | -0.6536810 | 103 | 100 | GCGR | Glucagon receptor antagonist | 5311276 |
| amlodipine | HA1E | trt_cp | down | -0.2525706 | 0.0210094 | 0.1610253 | -0.9310168 | -57.47434 | 2241 | 0.0000000 | 103 | 100 | ABCG2; CA1; CACNA1B; CACNA1C; CACNA1D; CACNA1S; CACNA2D1; CACNA2D3; CACNB1; CACNB2; CYP2B6; SMPD1 | Calcium channel blocker | 2162 |
| flunisolide | HA1E | trt_cp | down | -0.2522768 | 0.0223871 | 0.1699687 | -0.9299336 | -43.68585 | 2241 | 0.0000000 | 103 | 100 | NR3C1 | Cytochrome P450 inhibitor | 5702174 |
| SA-1472321 | NKDBA | trt_cp | down | -0.2520327 | 0.0223871 | 0.1699687 | -1.0178985 | NA | 229 | -0.6819920 | 103 | 100 | NA | NA | 54653980 |
| azaperone | HA1E | trt_cp | down | -0.2518762 | 0.0223871 | 0.1699687 | -0.9284572 | -53.27979 | 2241 | 0.0000000 | 103 | 100 | DRD3 | Dopamine receptor antagonist | 15443 |
| CO-102862 | HA1E | trt_cp | down | -0.2512130 | 0.0238390 | 0.1793333 | -0.9260123 | -64.43552 | 2241 | 0.0000000 | 103 | 100 | SCN2A; SCN4A; SCN9A | Sodium channel blocker | 10221150 |
| flumazenil | HA1E | trt_cp | down | -0.2509552 | 0.0238390 | 0.1793333 | -0.9250621 | -45.15841 | 2241 | -0.0237234 | 103 | 100 | GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ | Benzodiazepine receptor antagonist | 3373 |
| BRD-A24054354 | HA1E | trt_cp | down | -0.2504169 | 0.0253670 | 0.1887271 | -0.9230780 | -53.14592 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 3516032 |
| isogedunin | HA1E | trt_cp | down | -0.2497418 | 0.0253670 | 0.1887271 | -0.9205893 | -47.52343 | 2241 | -0.7388848 | 103 | 100 | NA | HSP inhibitor | 6708584 |
| PAC-1 | HA1E | trt_cp | down | -0.2490590 | 0.0269838 | 0.1986654 | -0.9180725 | -54.88621 | 2241 | 0.5387780 | 103 | 100 | CASP3 | Caspase activator | 135421197 |
| canrenoic-acid | HA1E | trt_cp | down | -0.2480786 | 0.0286771 | 0.2091219 | -0.9144585 | -60.91031 | 2241 | -0.0250729 | 103 | 100 | NA | Mineralocorticoid receptor antagonist | 656615 |
| BRD-A81936046 | HA1E | trt_cp | down | -0.2474868 | 0.0304564 | 0.2199330 | -0.9122770 | -58.27755 | 2241 | -0.6294711 | 103 | 100 | NA | NA | 73707403 |
| 6-benzylaminopurine | HA1E | trt_cp | down | -0.2458841 | 0.0323254 | 0.2303884 | -0.9063694 | -56.93887 | 2241 | -0.9128082 | 103 | 100 | NA | Purinergic receptor activator | 62389 |
| methoxsalen | HA1E | trt_cp | down | -0.2455576 | 0.0323254 | 0.2303884 | -0.9051656 | -66.97903 | 2241 | -0.0181033 | 103 | 100 | ACHE; CYP1A2 | DNA synthesis inhibitor | 4114 |
| BMS-191011 | HA1E | trt_cp | down | -0.2455520 | 0.0323254 | 0.2303884 | -0.9051450 | -68.85319 | 2241 | -0.3349036 | 103 | 100 | KCNMA1 | Potassium channel activator | 10474339 |
| ABT-737 | HA1E | trt_cp | down | -0.2455019 | 0.0323254 | 0.2303884 | -0.9049605 | -52.03034 | 2241 | 0.0000000 | 103 | 100 | BAD; BCL2; BCL2L1; BCL2L2 | BCL inhibitor | 11228183 |
| nalbuphine | HA1E | trt_cp | down | -0.2454334 | 0.0342699 | 0.2416618 | -0.9047080 | -62.24900 | 2241 | 0.0000000 | 103 | 100 | OPRD1; OPRK1; OPRM1 | Opioid receptor agonist; Opioid receptor antagonist | 23581814 |
| SA-96816 | NKDBA | trt_cp | down | -0.2451386 | 0.0342699 | 0.2416618 | -0.9900550 | NA | 229 | -0.6633369 | 103 | 100 | NA | NA | 44494782 |
| diprotin-a | HA1E | trt_cp | down | -0.2449533 | 0.0342699 | 0.2416618 | -0.9029383 | -44.97992 | 2241 | -0.0090294 | 103 | 100 | DPP4 | Dipeptidyl peptidase inhibitor | 94701 |
| BI-2536 | HA1E | trt_cp | down | -0.2434189 | 0.0384309 | 0.2660236 | -0.8972822 | -52.69969 | 2241 | 0.0257296 | 103 | 100 | BRD4; PLK1; PLK2; PLK3 | PLK inhibitor | 11364421 |
| BRD-K03954795 | HA1E | trt_cp | down | -0.2433035 | 0.0384309 | 0.2660236 | -0.8968567 | -70.90585 | 2241 | -0.9019912 | 103 | 100 | NA | NA | 902452 |
| SA-1938757 | NKDBA | trt_cp | down | -0.2431892 | 0.0384309 | 0.2660236 | -0.9821820 | NA | 229 | -0.6580619 | 103 | 100 | NA | NA | 60186845 |
| SA-1459167 | NKDBA | trt_cp | down | -0.2424118 | 0.0406627 | 0.2789933 | -0.9790421 | NA | 229 | -0.6559582 | 103 | 100 | NA | NA | 54658498 |
| nitrarine | HA1E | trt_cp | down | -0.2418176 | 0.0406627 | 0.2789933 | -0.8913793 | -56.44801 | 2241 | -0.0178276 | 103 | 100 | NA | NA | 398797 |
| tyrphostin-AG-18 | HA1E | trt_cp | down | -0.2399840 | 0.0454073 | 0.3050338 | -0.8846204 | -44.17671 | 2241 | 0.0000000 | 103 | 100 | EGFR | EGFR inhibitor; Tyrosine kinase inhibitor | NotFound |
| lasalocid | HA1E | trt_cp | down | -0.2396249 | 0.0454073 | 0.3050338 | -0.8832969 | -55.86792 | 2241 | 0.0000000 | 103 | 100 | NA | Bacterial permeability inducer | 5360807 |
| MRS-1754 | HA1E | trt_cp | down | -0.2395947 | 0.0454073 | 0.3050338 | -0.8831855 | -36.54618 | 2241 | 0.0000000 | 103 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor antagonist | 6603931 |
| etifenin | HA1E | trt_cp | down | -0.2395642 | 0.0454073 | 0.3050338 | -0.8830729 | -42.79340 | 2241 | -0.0217408 | 103 | 100 | NA | Compound used in hepatobiliary scans of the liver | 170344 |
| BRD-K19826688 | HA1E | trt_cp | down | -0.2388093 | 0.0479389 | 0.3144514 | -0.8802903 | -61.35654 | 2241 | 0.0000000 | 103 | 100 | NA | NA | NotFound |
| SA-1462246 | NKDBA | trt_cp | down | -0.2377951 | 0.0505539 | 0.3144514 | -0.9603964 | NA | 229 | -1.0670241 | 103 | 100 | NA | NA | 54655268 |
| altanserin | HA1E | trt_cp | down | -0.2368524 | 0.0532625 | 0.3144514 | -0.8730770 | -47.30031 | 2241 | -0.8826340 | 103 | 100 | NA | Serotonin receptor antagonist | 3033677 |
| SB-216763 | HA1E | trt_cp | down | -0.2367336 | 0.0532625 | 0.3144514 | -0.8726391 | -45.38153 | 2241 | 0.0000000 | 103 | 100 | CDK2; GSK3A; GSK3B | Glycogen synthase kinase inhibitor | 176158 |
| fraxetin | HA1E | trt_cp | down | -0.2364860 | 0.0560729 | 0.3144514 | -0.8717262 | -54.08300 | 2241 | 0.0000000 | 103 | 100 | NA | Antioxidant | 5273569 |
| SA-419083 | NKDBA | trt_cp | down | -0.2362337 | 0.0560729 | 0.3144514 | -0.9540901 | NA | 229 | 0.0000000 | 103 | 100 | NA | NA | 44505047 |
| GBR-13069 | HA1E | trt_cp | down | -0.2361188 | 0.0560729 | 0.3144514 | -0.8703727 | -44.97992 | 2241 | -0.8211932 | 103 | 100 | SLC6A3 | Dopamine uptake inhibitor | 5974189 |
| tetrindole | HA1E | trt_cp | down | -0.2359759 | 0.0560729 | 0.3144514 | -0.8698460 | -44.48907 | 2241 | 0.0000000 | 103 | 100 | MAOA | Monoamine oxidase inhibitor | 160019 |
| diphenidol | HA1E | trt_cp | down | -0.2358665 | 0.0560729 | 0.3144514 | -0.8694427 | -47.25569 | 2241 | 0.0000000 | 103 | 100 | CHRM1; CHRM4 | Acetylcholine receptor agonist | 3055 |
| BRD-K18595892 | HA1E | trt_cp | down | -0.2357605 | 0.0560729 | 0.3144514 | -0.8690521 | -51.53949 | 2241 | -0.0153882 | 103 | 100 | NA | NA | 3240581 |
| NVP-AUY922 | HA1E | trt_cp | down | -0.2356619 | 0.0560729 | 0.3144514 | -0.8686886 | -49.57608 | 2241 | -0.5484437 | 103 | 100 | HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1 | HSP inhibitor | 10096043 |
| Ro-10-5824 | HA1E | trt_cp | down | -0.2339831 | 0.0620255 | 0.3144514 | -0.8625002 | -36.99241 | 2241 | 0.0000000 | 103 | 100 | DRD4 | NA | 16759175 |
| probucol | HA1E | trt_cp | down | -0.2338753 | 0.0620255 | 0.3144514 | -0.8621027 | -36.90317 | 2241 | 0.0000000 | 103 | 100 | ABCA1; ABCB11; APOA1; APOA2; APOB; APOE; CES1; CETP; SCARB1; SELE; VCAM1 | Atherogenesis inhibitor | 4912 |
| naproxen | HA1E | trt_cp | down | -0.2337769 | 0.0620255 | 0.3144514 | -0.8617403 | -57.20660 | 2241 | -0.8630417 | 103 | 100 | AKR1C2; AKR1C3; CYP2C9; LTF; PNLIP; TF | Cyclooxygenase inhibitor | 1302 |
| BRD-K73610817 | HA1E | trt_cp | down | -0.2336008 | 0.0620255 | 0.3144514 | -0.8610908 | -44.08746 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 3426979 |
| clemastine | HA1E | trt_cp | down | -0.2333210 | 0.0651636 | 0.3144514 | -0.8600596 | -50.78090 | 2241 | 0.0000000 | 103 | 100 | HRH1 | Histamine receptor antagonist | 26987 |
| flavoxate | HA1E | trt_cp | down | -0.2327666 | 0.0651636 | 0.3144514 | -0.8580161 | -39.98215 | 2241 | -0.0257405 | 103 | 100 | CHRM1 | Acetylcholine receptor antagonist | 3354 |
| BRD-K39187410 | HA1E | trt_cp | down | -0.2321663 | 0.0684082 | 0.3144514 | -0.8558032 | -41.14235 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 11957531 |
| GW-311616 | HA1E | trt_cp | down | -0.2317784 | 0.0684082 | 0.3144514 | -0.8543731 | -40.96386 | 2241 | -0.0238986 | 103 | 100 | ELANE | Leukocyte elastase inhibitor | 44483335 |
| mebeverine | HA1E | trt_cp | down | -0.2315973 | 0.0684082 | 0.3144514 | -0.8537058 | -48.54975 | 2241 | 0.0000000 | 103 | 100 | CHRM1; CHRM4; IL13 | Acetylcholine receptor antagonist | 4031 |
| Ro-04-6790 | HA1E | trt_cp | down | -0.2313701 | 0.0717490 | 0.3144514 | -0.8528684 | -38.06336 | 2241 | 0.0000000 | 103 | 100 | HTR6 | Serotonin receptor antagonist | 5312145 |
| benzo(a)pyrene | HA1E | trt_cp | down | -0.2312117 | 0.0717490 | 0.3144514 | -0.8522842 | -49.84382 | 2241 | 0.0094531 | 103 | 100 | NA | Carcinogen | 2336 |
| BMY-7378 | HA1E | trt_cp | down | -0.2309032 | 0.0717490 | 0.3144514 | -0.8511471 | -46.31861 | 2241 | -0.0255344 | 103 | 100 | ADRA1A; ADRA1B; ADRA1D | Adrenergic receptor antagonist; Serotonin receptor antagonist | 2419 |
| caffeic-acid | HA1E | trt_cp | down | -0.2298200 | 0.0751866 | 0.3144514 | -0.8471545 | -34.85051 | 2241 | 0.0000000 | 103 | 100 | ALOX5; MIF; RELA; TNF | HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor | 689043 |
| phensuximide | HA1E | trt_cp | down | -0.2292755 | 0.0787550 | 0.3144514 | -0.8451471 | -51.71798 | 2241 | 0.0188449 | 103 | 100 | NA | Succinimide antiepileptic | 6839 |
| rotenonic-acid | HA1E | trt_cp | down | -0.2288447 | 0.0787550 | 0.3144514 | -0.8435593 | -47.61267 | 2241 | 0.0227722 | 103 | 100 | NA | Retinoid receptor antagonist | 6708539 |
| BRD-K61894884 | HA1E | trt_cp | down | -0.2277312 | 0.0823825 | 0.3144514 | -0.8394545 | -54.39536 | 2241 | 0.0000000 | 103 | 100 | NA | NA | NotFound |
| LY-456236 | HA1E | trt_cp | down | -0.2252178 | 0.0939448 | 0.3144514 | -0.8301900 | -51.94110 | 2241 | -0.5811330 | 103 | 100 | GRM1 | Glutamate receptor antagonist | 9926999 |
| RS-102895 | HA1E | trt_cp | down | -0.2248267 | 0.0939448 | 0.3144514 | -0.8287482 | -48.54975 | 2241 | -0.0165750 | 103 | 100 | CCR2 | CCR antagonist | 10000456 |
| SDZ-21009 | HA1E | trt_cp | down | -0.2243748 | 0.0979693 | 0.3144514 | -0.8270823 | -50.20080 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 193949 |
| SA-247582 | NKDBA | trt_cp | down | -0.2235732 | 0.0979693 | 0.3144514 | -0.9029576 | NA | 229 | -0.6049816 | 103 | 100 | NA | NA | 44508028 |
| PK-11195 | HA1E | trt_cp | down | -0.2227703 | 0.1020951 | 0.3144514 | -0.8211681 | -31.59304 | 2241 | -0.7497236 | 103 | 100 | NR1I2; NR1I3; TSPO | Benzodiazepine receptor antagonist | 1345 |
| diclofenamide | HA1E | trt_cp | down | -0.2207412 | 0.1106222 | 0.3144514 | -0.8136884 | -38.19723 | 2241 | 0.0000000 | 103 | 100 | CA1; CA12; CA3; CA4; CA7 | Carbonic anhydrase inhibitor | 3038 |
| CNQX | HA1E | trt_cp | down | -0.2190591 | 0.1195050 | 0.3144514 | -0.8074878 | -59.12539 | 2241 | -0.0159188 | 103 | 100 | GRIA1; GRIA3; GRIA4 | Glutamate receptor antagonist | 3721046 |
| alisertib | HA1E | trt_cp | down | -0.2189582 | 0.1195050 | 0.3144514 | -0.8071159 | -45.64926 | 2241 | -0.5569100 | 103 | 100 | AURKA | Aurora kinase inhibitor | 24771867 |
| benzbromarone | HA1E | trt_cp | down | -0.2179305 | 0.1240573 | 0.3144514 | -0.8033278 | -42.25792 | 2241 | -0.0160666 | 103 | 100 | ABCC1; CYP2C9; SLC22A12 | Chloride channel blocker | 2333 |
| GW-6471 | HA1E | trt_cp | down | -0.2170454 | 0.1286736 | 0.3144514 | -0.8000652 | -43.46274 | 2241 | 0.0000000 | 103 | 100 | PPARA | PPAR receptor antagonist | 44634742 |
| sertraline | HA1E | trt_cp | down | -0.2165616 | 0.1286736 | 0.3144514 | -0.7982818 | -33.28871 | 2241 | 0.0000000 | 103 | 100 | CYP2C9; PGRMC1; SIGMAR1; SLC6A3; SLC6A4 | Serotonin receptor antagonist | 6093397 |
| BRD-K89097220 | HA1E | trt_cp | down | -0.2160297 | 0.1333588 | 0.3144514 | -0.7963209 | -51.09326 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 7122097 |
| BRD-K23673040 | HA1E | trt_cp | down | -0.2158181 | 0.1333588 | 0.3144514 | -0.7955410 | -44.84605 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 690299 |
| pregnenolone | HA1E | trt_cp | down | -0.2153610 | 0.1381184 | 0.3144514 | -0.7938559 | -40.91923 | 2241 | 0.0000000 | 103 | 100 | BPNT1; CGA; CYP11A1; CYP17A1; CYP21A2; CYP7B1; HSD3B1; HSD3B2; LHB; NR1I2; PGR; POMC; STS; SULT2A1; SULT2B1 | Acetylcholine release enhancer; Dopamine release enhancer; GABA receptor negative allosteric modulator; glutamate receptor modulator; Glutamate receptor modulator | 7088398 |
| vorinostat | HA1E | trt_cp | down | -0.2144667 | 0.1429115 | 0.3144514 | -0.7905594 | -27.26461 | 2241 | 0.0000000 | 103 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 5311 |
| m-3M3FBS | HA1E | trt_cp | down | -0.2100794 | 0.1625104 | 0.3144514 | -0.7743872 | -43.55199 | 2241 | -0.0232316 | 103 | 100 | PLCB2; PLCB3; PLCD1; PLCG1; PLCG2 | NA | 761523 |
| BRD-A64850503 | HA1E | trt_cp | down | -0.2099748 | 0.1625104 | 0.3144514 | -0.7740018 | -38.19723 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 4302116 |
| tebuthiuron | HA1E | trt_cp | down | -0.2095940 | 0.1625104 | 0.3144514 | -0.7725980 | -42.25792 | 2241 | 0.0000000 | 103 | 100 | NA | Photosynthesis inhibitor | 5383 |
| biochanin-a | HA1E | trt_cp | down | -0.2089191 | 0.1674784 | 0.3144514 | -0.7701102 | -30.83445 | 2241 | -0.0231033 | 103 | 100 | NA | Estrogen receptor agonist | 5280373 |
| SB-222200 | HA1E | trt_cp | down | -0.2064228 | 0.1824439 | 0.3144514 | -0.7609083 | -39.80366 | 2241 | 0.0000000 | 103 | 100 | TACR3 | Tachykinin antagonist | 6604009 |
| BRD-K93975822 | HA1E | trt_cp | down | -0.2033633 | 0.1973085 | 0.3144514 | -0.7496305 | -35.16287 | 2241 | -0.0149926 | 103 | 100 | NA | NA | 44142065 |
| gelsemine | HA1E | trt_cp | down | -0.2020435 | 0.2022059 | 0.3144514 | -0.7447654 | -36.50156 | 2241 | 0.0000000 | 103 | 100 | GLRA3 | Acetylcholine receptor antagonist; Glycine receptor antagonist | 5390854 |
| entinostat | HA1E | trt_cp | down | -0.2019651 | 0.2022059 | 0.3144514 | -0.7444765 | -37.03704 | 2241 | 0.0000000 | 103 | 100 | HDAC1; HDAC2; HDAC3; HDAC9 | HDAC inhibitor | 4261 |
| ISOX | HA1E | trt_cp | down | -0.2019059 | 0.2022059 | 0.3144514 | -0.7442585 | -36.85855 | 2241 | 0.0000000 | 103 | 100 | HDAC6 | HDAC inhibitor | 24951314 |
| AGK-2 | HA1E | trt_cp | down | -0.2017151 | 0.2022059 | 0.3144514 | -0.7435549 | -32.97635 | 2241 | -0.7383645 | 103 | 100 | SIRT2 | SIRT inhibitor | 2130404 |
| SA-1939936 | NKDBA | trt_cp | down | -0.2016764 | 0.2022059 | 0.3144514 | -0.8145217 | NA | 229 | 0.0000000 | 103 | 100 | NA | NA | 60189878 |
| gabazine | HA1E | trt_cp | down | -0.2014546 | 0.2070626 | 0.3144514 | -0.7425948 | -29.85274 | 2241 | 0.0000000 | 103 | 100 | GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRG2 | GABA receptor antagonist | 107895 |
| desipramine | HA1E | trt_cp | down | -0.1999933 | 0.2118579 | 0.3144514 | -0.7372082 | -36.59081 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH | Tricyclic antidepressant | 2995 |
| BRD-K71746704 | HA1E | trt_cp | down | -0.1986667 | 0.2166037 | 0.3144514 | -0.7323182 | -41.49933 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 10402601 |
| papaverine | HA1E | trt_cp | down | -0.1980752 | 0.2213004 | 0.3144514 | -0.7301377 | -35.92146 | 2241 | 0.0000000 | 103 | 100 | PDE10A; PDE4B; PDE5A | Phosphodiesterase inhibitor | 6084 |
| BRD-K69304050 | HA1E | trt_cp | down | -0.1978893 | 0.2213004 | 0.3144514 | -0.7294524 | -33.19946 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 25243777 |
| maprotiline | HA1E | trt_cp | down | -0.1954739 | 0.2348545 | 0.3144514 | -0.7205489 | -32.48550 | 2241 | 0.0000000 | 103 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; HRH1; HTR7; SLC6A2 | Norepinephrine reuptake inhibitor; Tricyclic antidepressant | 4011 |
| bezafibrate | HA1E | trt_cp | down | -0.1945525 | 0.2348545 | 0.3144514 | -0.7171524 | -36.72468 | 2241 | -0.2653464 | 103 | 100 | APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3 | PPAR receptor agonist | 39042 |
| xylazine | HA1E | trt_cp | down | -0.1927797 | 0.2434283 | 0.3144514 | -0.7106177 | -46.22936 | 2241 | 0.0000000 | 103 | 100 | ADRA2B; ADRA2C | Adrenergic receptor agonist | 5707 |
| FIT | HA1E | trt_cp | down | -0.1925166 | 0.2434283 | 0.3144514 | -0.7096477 | -29.98661 | 2241 | 0.0309952 | 103 | 100 | OPRD1 | Opioid receptor agonist | 84008 |
| apicidin | HA1E | trt_cp | down | -0.1923484 | 0.2475593 | 0.3144514 | -0.7090277 | -35.78759 | 2241 | 0.0000000 | 103 | 100 | HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 | HDAC inhibitor | 467801 |
| r(-)-propylnorapomorphine | HA1E | trt_cp | down | -0.1910051 | 0.2515630 | 0.3144514 | -0.7040763 | -32.03927 | 2241 | -0.0211223 | 103 | 100 | DRD1; DRD3 | Dopamine receptor agonist; TRPA1 modulator | NotFound |
| finasteride | HA1E | trt_cp | down | -0.1905788 | 0.2515630 | 0.3144514 | -0.7025048 | -26.41678 | 2241 | -0.7030594 | 103 | 100 | AKR1D1; AR; KLK3; SRD5A1; SRD5A2 | 5-alpha reductase inhibitor | 10970751 |
| PSH-013 | HA1E | trt_cp | down | -0.1905323 | 0.2515630 | 0.3144514 | -0.7023335 | -36.68005 | 2241 | -0.0133699 | 103 | 100 | NA | NA | 6572379 |
| phosphodiesterase-V-inhibitor-II | HA1E | trt_cp | down | -0.1904580 | 0.2554585 | 0.3144514 | -0.7020596 | -32.21776 | 2241 | 0.0000000 | 103 | 100 | PDE5A | Phosphodiesterase inhibitor | 11003969 |
| nitrendipine | HA1E | trt_cp | down | -0.1901074 | 0.2554585 | 0.3144514 | -0.7007673 | -32.93173 | 2241 | 0.0000000 | 103 | 100 | CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 | Calcium channel blocker | 4507 |
| nitrocaramiphen | HA1E | trt_cp | down | -0.1883956 | 0.2628384 | 0.3144514 | -0.6944573 | -22.44534 | 2241 | 0.0000000 | 103 | 100 | NA | Cholinergic receptor antagonist | 25102587 |
| xaliproden | HA1E | trt_cp | down | -0.1873725 | 0.2663461 | 0.3144514 | -0.6906859 | -31.41455 | 2241 | 0.0000000 | 103 | 100 | MAPK3 | Serotonin receptor agonist | 128919 |
| cytosporone-b | HA1E | trt_cp | down | -0.1868775 | 0.2663461 | 0.3144514 | -0.6888613 | -27.80009 | 2241 | 0.0000000 | 103 | 100 | NR4A1 | NUR77 receptor agonist | 10687292 |
| BRD-K85051645 | HA1E | trt_cp | down | -0.1861812 | 0.2697161 | 0.3144514 | -0.6862944 | -31.72691 | 2241 | -0.0137259 | 103 | 100 | NA | NA | 56643193 |
| SKF-81297 | HA1E | trt_cp | down | -0.1851943 | 0.2729519 | 0.3144514 | -0.6826566 | -30.56671 | 2241 | -0.2525829 | 103 | 100 | DRD1 | Dopamine receptor agonist | 11957706 |
| FU-JMBII127B | HA1E | trt_cp | down | -0.1835483 | 0.2760193 | 0.3144514 | -0.6765892 | -23.56091 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 24856313 |
| purvalanol-a | HA1E | trt_cp | down | -0.1833085 | 0.2789413 | 0.3144514 | -0.6757054 | -28.82642 | 2241 | 0.0000000 | 103 | 100 | CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC | CDK inhibitor; DYRK inhibitor | 456214 |
| LY-278584 | HA1E | trt_cp | down | -0.1821897 | 0.2817278 | 0.3144514 | -0.6715814 | -25.47970 | 2241 | 0.0000000 | 103 | 100 | HTR3A | Serotonin receptor antagonist | 3970 |
| resveratrol | HA1E | trt_cp | down | -0.1816054 | 0.2817278 | 0.3144514 | -0.6694274 | -30.83445 | 2241 | 0.0000000 | 103 | 100 | AHR; AKT1; ALOX15; ALOX5; APOA1; APP; ATP5A1; ATP5B; ATP5C1; BACE1; CBR1; CLEC14A; CSNK2A1; ITGA5; ITGB3; KHSRP; MAOA; MAT2B; MTNR1A; MTNR1B; NQO2; NR1I2; NR1I3; PI4K2B; PPARA; PPARG; SCN5A; SIRT1; SIRT5; SLC2A1; SNCA; SULT1B1; TXNRD1; TXNRD2; YARS | Cytochrome P450 inhibitor; SIRT activator | 445154 |
| BRD-K64024097 | HA1E | trt_cp | down | -0.1807426 | 0.2843721 | 0.3144514 | -0.6662469 | -39.17894 | 2241 | 0.0000000 | 103 | 100 | NA | NA | 73055061 |
| SA-1922261 | NKDBA | trt_cp | down | -0.1786190 | 0.2892208 | 0.3144514 | -0.7213985 | NA | 229 | -0.4833370 | 103 | 100 | NA | NA | 54666567 |
| sonidegib | HA1E | trt_cp | down | -0.1755672 | 0.2954248 | 0.3144514 | -0.6471695 | -34.44891 | 2241 | 0.0000000 | 103 | 100 | SMO | NA | 24775005 |
| lumicolchicine | HA1E | trt_cp | down | -0.1707882 | 0.3031937 | 0.3144514 | -0.6295534 | -29.49576 | 2241 | 0.0238547 | 103 | 100 | NA | Colchicine isomer; non-binder of microtubules | 244898 |
| BRD-K28366444 | HA1E | trt_cp | down | -0.1698306 | 0.3043983 | 0.3144514 | -0.6260234 | -35.16287 | 2241 | -0.8064634 | 103 | 100 | NA | NA | 3234518 |
| RHC-80267 | HA1E | trt_cp | down | -0.1664103 | 0.3082453 | 0.3144514 | -0.6134158 | -26.41678 | 2241 | 0.0000000 | 103 | 100 | DAGLA; DAGLB; LIPC; LIPE; LIPG | Triacylglycerol lipase inhibitor | 5063 |
| SA-427604 | NKDBA | trt_cp | down | -0.1655598 | 0.3082453 | 0.3144514 | -0.6686556 | NA | 229 | -0.4479992 | 103 | 100 | NA | NA | 44620034 |
| PSH-021 | HA1E | trt_cp | down | -0.1647523 | 0.3089922 | 0.3144514 | -0.6073042 | -30.47747 | 2241 | -0.0121461 | 103 | 100 | NA | NA | 24747176 |
| emetine | HA1E | trt_cp | down | -0.1619329 | 0.3107999 | 0.3144514 | -0.5969112 | -33.15484 | 2241 | 0.0000000 | 103 | 100 | MRPS7; RPS11; RPS12; RPS13; RPS14; RPS15; RPS15A; RPS16; RPS19; RPS2; RPS20; RPS21; RPS23; RPS24; RPS25; RPS27; RPS27L; RPS28; RPS29; RPS3; RPS3A; RPS5; RPS6; RPS7; RPS8; RPSA; RPSAP58; RSRC1 | Protein synthesis inhibitor | 10219 |
| mebendazole | NKDBA | trt_cp | down | -0.1610422 | 0.3112760 | 0.3144514 | -0.6504100 | NA | 229 | 0.0000000 | 103 | 100 | TUBA1A; TUBB; TUBB4B | Tubulin inhibitor | 4030 |
| digoxigenin | HA1E | trt_cp | down | -0.1556963 | 0.3129448 | 0.3144514 | -0.5739222 | -29.98661 | 2241 | -0.5794236 | 103 | 100 | ATP1A1 | Steroid | 15478 |
| EMD-386088 | HA1E | trt_cp | down | -0.1488733 | 0.3139856 | 0.3144514 | -0.5487716 | -21.95448 | 2241 | -0.5540573 | 103 | 100 | HTR6 | Serotonin receptor agonist | 10131112 |
Save gess and filtered gess result
Read in data
hom_19_UP <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_UP_220421.csv"))
hom_19_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_DOWN_220421.csv"))
Run signatureSearch, filter for kidney cell lines
gess_kidneycells_19 <- ssRun(upgenes = as.character(hom_19_UP$entrezgene_id), downgenes = as.character(hom_19_DOWN$entrezgene_id), cells = "kidney")
## 100 / 100 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database
gess_res_vis(gess_kidneycells_19, drugs = unique(gess_kidneycells_19$pert)[1:20], col = "WTCS")
knitr::kable(gess_kidneycells_19, col.names = colnames(gess_kidneycells_19))
| pert | cell | type | trend | WTCS | WTCS_Pval | WTCS_FDR | NCS | Tau | TauRefSize | NCSct | N_upset | N_downset | t_gn_sym | MOAss | PCIDss |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| etifenin | HA1E | trt_cp | down | -0.3532343 | 0.0000285 | 0.0027657 | -1.3914066 | -93.66354 | 2241 | 0.0000000 | 100 | 100 | NA | Compound used in hepatobiliary scans of the liver | 170344 |
| BRL-37344 | HA1E | trt_cp | down | -0.3527752 | 0.0000285 | 0.0027657 | -1.3895982 | -96.60866 | 2241 | 0.0000000 | 100 | 100 | ADRB1; ADRB2; ADRB3 | Adrenergic receptor agonist | 9841972 |
| L-733060 | HA1E | trt_cp | down | -0.3503833 | 0.0000290 | 0.0027657 | -1.3801762 | -95.35921 | 2241 | 0.0000000 | 100 | 100 | TACR1 | Tachykinin antagonist | 132846 |
| geldanamycin | HA1E | trt_cp | down | -0.3502735 | 0.0000290 | 0.0027657 | -1.3797438 | -96.74253 | 2241 | 0.0000000 | 100 | 100 | HSP90AA1; HSP90AB1; HSP90B1 | HSP inhibitor | 3460 |
| moexipril | HA1E | trt_cp | down | -0.3462459 | 0.0000302 | 0.0027657 | -1.3638791 | -91.16466 | 2241 | 0.0000000 | 100 | 100 | ACE; ACE2 | ACE inhibitor | 91270 |
| doxylamine | HA1E | trt_cp | down | -0.3436283 | 0.0000307 | 0.0027657 | -1.3535680 | -97.27800 | 2241 | 0.0000000 | 100 | 100 | CHRM1; HRH1; NR1I3 | Histamine receptor antagonist | 3162 |
| diazepam | HA1E | trt_cp | down | -0.3400867 | 0.0000334 | 0.0027657 | -1.3396177 | -95.53771 | 2241 | -0.3696447 | 100 | 100 | ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO | Benzodiazepine receptor agonist | 3016 |
| ICI-204448 | HA1E | trt_cp | down | -0.3373518 | 0.0000362 | 0.0027657 | -1.3288447 | -87.01473 | 2241 | -0.0217558 | 100 | 100 | OPRK1 | Opioid receptor agonist | 3683 |
| nafadotride | HA1E | trt_cp | down | -0.3356206 | 0.0000379 | 0.0027657 | -1.3220252 | -98.17046 | 2241 | -0.7756939 | 100 | 100 | DRD3 | Dopamine receptor antagonist | 3408722 |
| vinpocetine | HA1E | trt_cp | down | -0.3308412 | 0.0000458 | 0.0028052 | -1.3031991 | -96.16243 | 2241 | 0.0000000 | 100 | 100 | PDE1A; PDE1C; SCN10A | Phosphodiesterase inhibitor; Sodium channel blocker | 5673 |
| PAC-1 | HA1E | trt_cp | down | -0.3304872 | 0.0000480 | 0.0028330 | -1.3018045 | -92.54797 | 2241 | 0.0000000 | 100 | 100 | CASP3 | Caspase activator | 135421197 |
| tyrphostin-AG-18 | HA1E | trt_cp | down | -0.3301464 | 0.0000480 | 0.0028330 | -1.3004621 | -91.07541 | 2241 | 0.0000000 | 100 | 100 | EGFR | EGFR inhibitor; Tyrosine kinase inhibitor | NotFound |
| PKCbeta-inhibitor | HA1E | trt_cp | down | -0.3291255 | 0.0000503 | 0.0028766 | -1.2964409 | -90.31682 | 2241 | 0.0000000 | 100 | 100 | PRKCB | PKC inhibitor | 6419755 |
| GW-583340 | HA1E | trt_cp | down | -0.3276159 | 0.0000531 | 0.0029421 | -1.2904944 | -95.04685 | 2241 | 0.0000000 | 100 | 100 | EGFR; ERBB2 | EGFR inhibitor; ErbB2 inhibitor; Receptor tyrosine protein kinase inhibitor | 5329480 |
| NVP-AUY922 | HA1E | trt_cp | down | -0.3268767 | 0.0000560 | 0.0030353 | -1.2875826 | -93.75279 | 2241 | -1.1605392 | 100 | 100 | HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1 | HSP inhibitor | 10096043 |
| CGP-57380 | HA1E | trt_cp | down | -0.3256514 | 0.0000594 | 0.0031270 | -1.2827560 | -89.15663 | 2241 | -0.0236837 | 100 | 100 | AURKB; LCK; MKNK1; MKNK2; SGK1 | MAP kinase inhibitor | 11644425 |
| BRD-K67941506 | HA1E | trt_cp | down | -0.3255690 | 0.0000594 | 0.0031270 | -1.2824318 | -96.47479 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 23648028 |
| KU-0060648 | HA1E | trt_cp | down | -0.3254064 | 0.0000629 | 0.0032362 | -1.2817913 | -87.77332 | 2241 | 0.0000000 | 100 | 100 | PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC | DNA dependent protein kinase inhibitor; PI3K inhibitor | 11964036 |
| LY-344864 | HA1E | trt_cp | down | -0.3229286 | 0.0000720 | 0.0034627 | -1.2720310 | -94.42213 | 2241 | -0.0140544 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7 | Serotonin receptor agonist | 5311097 |
| pizotifen | HA1E | trt_cp | down | -0.3224123 | 0.0000774 | 0.0035758 | -1.2699971 | -87.10397 | 2241 | 0.0000000 | 100 | 100 | ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B | Serotonin receptor antagonist | 27400 |
| indirubin-3-monoxime | HA1E | trt_cp | down | -0.3223492 | 0.0000774 | 0.0035758 | -1.2697487 | -92.63722 | 2241 | 0.0296066 | 100 | 100 | NA | NA | 3707 |
| JTE-907 | HA1E | trt_cp | down | -0.3210093 | 0.0000829 | 0.0036791 | -1.2644706 | -90.89692 | 2241 | -0.0256097 | 100 | 100 | CNR2 | Cannabinoid receptor inverse agonist | 9867770 |
| ecopipam | HA1E | trt_cp | down | -0.3166337 | 0.0001118 | 0.0043781 | -1.2472350 | -93.08344 | 2241 | 0.0000000 | 100 | 100 | DRD1 | Dopamine receptor antagonist | 107930 |
| proadifen | HA1E | trt_cp | down | -0.3151227 | 0.0001317 | 0.0048384 | -1.2412833 | -94.06515 | 2241 | 0.0000000 | 100 | 100 | NOS1 | Nitric oxide synthase inhibitor | 4910 |
| BRD-K78797196 | HA1E | trt_cp | down | -0.3149712 | 0.0001317 | 0.0048384 | -1.2406864 | -95.04685 | 2241 | -0.0208398 | 100 | 100 | NA | NA | 4292126 |
| bisacodyl | HA1E | trt_cp | down | -0.3144715 | 0.0001429 | 0.0051032 | -1.2387179 | -94.24364 | 2241 | 0.0000000 | 100 | 100 | NA | Laxative | 2391 |
| levomepromazine | HA1E | trt_cp | down | -0.3117181 | 0.0001678 | 0.0056290 | -1.2278725 | -92.28023 | 2241 | -0.0316712 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1 | Dopamine receptor antagonist | 45479743 |
| UCL-2077 | HA1E | trt_cp | down | -0.3115634 | 0.0001678 | 0.0056290 | -1.2272631 | -88.21954 | 2241 | 0.0000000 | 100 | 100 | NA | Slow after hyperpolarization channel blocker | 24868317 |
| BRD-K21640605 | HA1E | trt_cp | down | -0.3105156 | 0.0001829 | 0.0059181 | -1.2231357 | -91.78938 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 665093 |
| iopanoic-acid | HA1E | trt_cp | down | -0.3092897 | 0.0002197 | 0.0066834 | -1.2183067 | -90.00446 | 2241 | 0.0000000 | 100 | 100 | NA | Radiopaque medium | 3735 |
| EMD-386088 | HA1E | trt_cp | down | -0.3086546 | 0.0002197 | 0.0066834 | -1.2158049 | -89.06738 | 2241 | 0.0000000 | 100 | 100 | HTR6 | Serotonin receptor agonist | 10131112 |
| YM-976 | HA1E | trt_cp | down | -0.3061182 | 0.0002885 | 0.0080981 | -1.2058141 | -92.41410 | 2241 | 0.0000000 | 100 | 100 | PDE4A; PDE4B; PDE4C; PDE4D; TNF | Phosphodiesterase inhibitor | 6604918 |
| BRD-K63181962 | HA1E | trt_cp | down | -0.3048264 | 0.0003168 | 0.0086859 | -1.2007256 | -92.77108 | 2241 | 0.6805880 | 100 | 100 | NA | NA | 44142057 |
| IB-MECA | HA1E | trt_cp | down | -0.3016991 | 0.0004167 | 0.0106450 | -1.1884070 | -83.22178 | 2241 | 0.0000000 | 100 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor agonist | 3668 |
| mepacrine | HA1E | trt_cp | down | -0.3015095 | 0.0004167 | 0.0106450 | -1.1876602 | -87.28246 | 2241 | 0.0000000 | 100 | 100 | AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53 | Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator | 237 |
| PP-30 | HA1E | trt_cp | down | -0.3010807 | 0.0004571 | 0.0113979 | -1.1859711 | -90.80768 | 2241 | -0.8120337 | 100 | 100 | RAF1 | RAF inhibitor | 73707372 |
| I-OMe-AG-538 | HA1E | trt_cp | down | -0.3008387 | 0.0004571 | 0.0113979 | -1.1850176 | -92.41410 | 2241 | 0.0000000 | 100 | 100 | NA | IGF-1 inhibitor | NotFound |
| estradiol | HA1E | trt_cp | down | -0.3008067 | 0.0004571 | 0.0113979 | -1.1848919 | -92.68184 | 2241 | 0.0000000 | 100 | 100 | ATP6; BECN1; BPNT1; CHRNA4; CYP2A6; CYP2B6; CYP2C8; CYP2E1; CYP3A5; CYP3A7; ESR1; ESR2; ESRRA; ESRRB; ESRRG; GPER1; HSD17B1; HSD17B11; HSD17B12; HSD17B2; HSD17B6; HSD17B7; HSD17B8; KCNMA1; NCOA2; NR1I2; SHBG; SULT1A1; SULT1E1; UGT1A1; UGT1A10; UGT1A3; UGT1A4; UGT1A5; UGT1A6; UGT1A7; UGT1A8; UGT1A9; UGT2A2; UGT2A3; UGT2B10; UGT2B11; UGT2B15; UGT2B17; UGT2B4; UGT2B7 | Contraceptive agent; Estrogen receptor agonist | 5757 |
| tetrabenazine | HA1E | trt_cp | down | -0.3007177 | 0.0004571 | 0.0113979 | -1.1845413 | -89.37974 | 2241 | 0.0000000 | 100 | 100 | SLC18A1; SLC18A2 | Vesicular monoamine transporter inhibitor | 6018 |
| BRD-K72676786 | HA1E | trt_cp | down | -0.2997524 | 0.0005021 | 0.0121903 | -1.1807389 | -91.43240 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24747271 |
| MNITMT | HA1E | trt_cp | down | -0.2978051 | 0.0006023 | 0.0138817 | -1.1730685 | -90.04909 | 2241 | -1.0125093 | 100 | 100 | NA | Lymphocyte inhibitor | 364622 |
| fusaric-acid | HA1E | trt_cp | down | -0.2977094 | 0.0006023 | 0.0138817 | -1.1726915 | -83.98037 | 2241 | 0.0000000 | 100 | 100 | DBH | Dopamine beta hydroxylase inhibitor | 3442 |
| NAN-190 | HA1E | trt_cp | down | -0.2974432 | 0.0006601 | 0.0148120 | -1.1716426 | -80.81214 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; HTR1F | Serotonin receptor agonist | 4431 |
| CITCO | HA1E | trt_cp | down | -0.2966581 | 0.0006601 | 0.0148120 | -1.1685502 | -85.49755 | 2241 | 0.0000000 | 100 | 100 | NR1I3 | CAR agonist | 9600409 |
| diloxanide | HA1E | trt_cp | down | -0.2964046 | 0.0007223 | 0.0158965 | -1.1675516 | -93.97590 | 2241 | 0.0000000 | 100 | 100 | NA | Protein synthesis inhibitor | 11367 |
| RU-28318 | HA1E | trt_cp | down | -0.2954013 | 0.0007895 | 0.0169704 | -1.1635996 | -90.80768 | 2241 | -0.0195205 | 100 | 100 | NR3C2 | Cytochrome P450 inhibitor | 3034004 |
| MDM2-inhibitor | HA1E | trt_cp | down | -0.2939791 | 0.0008647 | 0.0181538 | -1.1579976 | -77.24230 | 2241 | 0.0000000 | 100 | 100 | MDM2 | MDM inhibitor | 10022508 |
| MRS-1754 | HA1E | trt_cp | down | -0.2938230 | 0.0008647 | 0.0181538 | -1.1573828 | -72.78001 | 2241 | 0.0000000 | 100 | 100 | ADORA1; ADORA2A; ADORA2B; ADORA3 | Adenosine receptor antagonist | 6603931 |
| PCA-4248 | HA1E | trt_cp | down | -0.2922859 | 0.0010317 | 0.0206316 | -1.1513279 | -81.88309 | 2241 | -0.0245962 | 100 | 100 | PTAFR | Platelet activating factor receptor antagonist | 4698 |
| cabergoline | HA1E | trt_cp | down | -0.2893853 | 0.0013421 | 0.0251846 | -1.1399022 | -63.27532 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL | Dopamine receptor agonist | 54746 |
| BRD-K87657228 | HA1E | trt_cp | down | -0.2883665 | 0.0014655 | 0.0268314 | -1.1358892 | -88.66577 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44229067 |
| desipramine | HA1E | trt_cp | down | -0.2879277 | 0.0014655 | 0.0268314 | -1.1341606 | -79.16109 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH | Tricyclic antidepressant | 2995 |
| UNC-0321 | HA1E | trt_cp | down | -0.2875181 | 0.0014655 | 0.0268314 | -1.1325473 | -89.02276 | 2241 | -1.0674354 | 100 | 100 | EHMT2 | Histone lysine methyltransferase inhibitor | 46901937 |
| tetrahydrozoline | HA1E | trt_cp | down | -0.2874994 | 0.0015986 | 0.0287203 | -1.1324736 | -75.54663 | 2241 | -0.0226495 | 100 | 100 | NA | NA | 5419 |
| RLM-2-12 | HA1E | trt_cp | down | -0.2873216 | 0.0015986 | 0.0287203 | -1.1317733 | -76.92994 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1560402 |
| ephedrine-(racemic) | HA1E | trt_cp | down | -0.2863582 | 0.0017460 | 0.0304175 | -1.1279784 | -87.99643 | 2241 | 0.0000000 | 100 | 100 | NA | NA | NotFound |
| isogedunin | HA1E | trt_cp | down | -0.2859797 | 0.0017460 | 0.0304175 | -1.1264877 | -74.69880 | 2241 | -0.0189040 | 100 | 100 | NA | HSP inhibitor | 6708584 |
| flavoxate | HA1E | trt_cp | down | -0.2859676 | 0.0017460 | 0.0304175 | -1.1264397 | -73.00312 | 2241 | 0.0000000 | 100 | 100 | CHRM1 | Acetylcholine receptor antagonist | 3354 |
| JAS07-010 | HA1E | trt_cp | down | -0.2855631 | 0.0017460 | 0.0304175 | -1.1248465 | -89.64748 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24747180 |
| isorotenone | HA1E | trt_cp | down | -0.2846129 | 0.0019031 | 0.0325014 | -1.1211037 | -67.29139 | 2241 | 0.6542596 | 100 | 100 | MT-ND1 | Mitochondrial complex I inhibitor; NADH-ubiquinone oxidoreductase (Complex I) inhibitor | 6453092 |
| BRD-K11533227 | HA1E | trt_cp | down | -0.2838189 | 0.0020710 | 0.0347611 | -1.1179759 | -92.14636 | 2241 | 0.0000000 | 100 | 100 | NA | NA | NotFound |
| BRD-K25150581 | HA1E | trt_cp | down | -0.2834925 | 0.0022521 | 0.0369114 | -1.1166902 | -88.84427 | 2241 | -0.0223338 | 100 | 100 | NA | NA | 12179987 |
| ML-9 | HA1E | trt_cp | down | -0.2814395 | 0.0026642 | 0.0419877 | -1.1086034 | -83.98037 | 2241 | 0.0000000 | 100 | 100 | MLCK; PKA; PKC; TRPC6 | Myosin light chain kinase inhibitor | 108047 |
| BRD-A74983348 | HA1E | trt_cp | down | -0.2811693 | 0.0026642 | 0.0419877 | -1.1075393 | -88.53191 | 2241 | -0.0205063 | 100 | 100 | NA | NA | 24747150 |
| apigenin | HA1E | trt_cp | down | -0.2804468 | 0.0028932 | 0.0448427 | -1.1046932 | -79.47345 | 2241 | 0.0000000 | 100 | 100 | AKR1B1; AR; CDK6; CFTR; CYP19A1; CYP1A2; CYP1B1; HSD17B1; MAOA; ODC1; TNKS2 | Casein kinase inhibitor; Cell proliferation inhibitor; Cytochrome P450 inhibitor | 5280443 |
| VAMA-37 | HA1E | trt_cp | down | -0.2789875 | 0.0031381 | 0.0475647 | -1.0989450 | -79.91968 | 2241 | -0.0215332 | 100 | 100 | PRKDC | DNA dependent protein kinase inhibitor | NotFound |
| zolantidine | HA1E | trt_cp | down | -0.2788342 | 0.0031381 | 0.0475647 | -1.0983410 | -81.07988 | 2241 | 0.0000000 | 100 | 100 | NA | Histamine receptor antagonist | 23640915 |
| biochanin-a | HA1E | trt_cp | down | -0.2786473 | 0.0031381 | 0.0475647 | -1.0976047 | -73.49398 | 2241 | 0.0000000 | 100 | 100 | NA | Estrogen receptor agonist | 5280373 |
| DR-2313 | HA1E | trt_cp | down | -0.2785758 | 0.0031381 | 0.0475647 | -1.0973232 | -83.17715 | 2241 | 0.0000000 | 100 | 100 | PARP1; PARP3 | PARP inhibitor | 135522417 |
| isoflupredone-acetate | HA1E | trt_cp | down | -0.2781603 | 0.0034056 | 0.0505347 | -1.0956865 | -75.59125 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 224246 |
| scandenin | HA1E | trt_cp | down | -0.2781371 | 0.0034056 | 0.0505347 | -1.0955952 | -65.86345 | 2241 | -0.0109560 | 100 | 100 | NA | Plant compound with antimicrobial activity | 634819 |
| KU-0063794 | HA1E | trt_cp | down | -0.2741422 | 0.0046813 | 0.0645467 | -1.0798590 | -79.87506 | 2241 | 0.0000000 | 100 | 100 | MTOR | MTOR inhibitor | 16736978 |
| dihydroobliquin | HA1E | trt_cp | down | -0.2738348 | 0.0046813 | 0.0645467 | -1.0786483 | -85.14056 | 2241 | 0.0000000 | 100 | 100 | NA | NA | NotFound |
| rotenonic-acid | HA1E | trt_cp | down | -0.2735611 | 0.0046813 | 0.0645467 | -1.0775699 | -79.60732 | 2241 | 0.0000000 | 100 | 100 | NA | Retinoid receptor antagonist | 6708539 |
| CGP-53353 | HA1E | trt_cp | down | -0.2717342 | 0.0054722 | 0.0725769 | -1.0703737 | -66.44355 | 2241 | 0.0000000 | 100 | 100 | EGFR; PRKCB | EGFR inhibitor; PKC inhibitor | 6711154 |
| BML-190 | HA1E | trt_cp | down | -0.2711717 | 0.0059111 | 0.0767804 | -1.0681580 | -81.74922 | 2241 | 0.0000000 | 100 | 100 | CNR2 | Cannabinoid receptor inverse agonist | 2415 |
| etomidate | HA1E | trt_cp | down | -0.2709351 | 0.0059111 | 0.0767804 | -1.0672263 | -85.58679 | 2241 | -0.0252470 | 100 | 100 | ADRA2B; CYP11B1; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ | GABA receptor modulator | 667484 |
| BMS-191011 | HA1E | trt_cp | down | -0.2699256 | 0.0063767 | 0.0812889 | -1.0632497 | -84.15886 | 2241 | 0.0000000 | 100 | 100 | KCNMA1 | Potassium channel activator | 10474339 |
| BMY-7378 | HA1E | trt_cp | down | -0.2698047 | 0.0063767 | 0.0812889 | -1.0627734 | -76.66220 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; ADRA1B; ADRA1D | Adrenergic receptor antagonist; Serotonin receptor antagonist | 2419 |
| bezafibrate | HA1E | trt_cp | down | -0.2686336 | 0.0068820 | 0.0858962 | -1.0581605 | -82.64168 | 2241 | -0.3698204 | 100 | 100 | APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3 | PPAR receptor agonist | 39042 |
| mebeverine | HA1E | trt_cp | down | -0.2682823 | 0.0074167 | 0.0907946 | -1.0567768 | -74.52030 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRM4; IL13 | Acetylcholine receptor antagonist | 4031 |
| VER-155008 | HA1E | trt_cp | down | -0.2682609 | 0.0074167 | 0.0907946 | -1.0566925 | -76.88532 | 2241 | -0.9234748 | 100 | 100 | HSPA1A | HSP inhibitor | 25195348 |
| thioridazine | HA1E | trt_cp | down | -0.2678815 | 0.0074167 | 0.0907946 | -1.0551979 | -70.81660 | 2241 | -0.5629629 | 100 | 100 | ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1 | Dopamine receptor antagonist | 5452 |
| cyproterone | HA1E | trt_cp | down | -0.2674501 | 0.0079852 | 0.0957886 | -1.0534985 | -69.47791 | 2241 | 0.0000000 | 100 | 100 | ADORA1; AR; ESR1 | Androgen receptor antagonist; Progesterone receptor agonist; Testosterone receptor antagonist | 5284537 |
| BRD-K93443135 | HA1E | trt_cp | down | -0.2672973 | 0.0079852 | 0.0957886 | -1.0528967 | -86.16689 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24747343 |
| ramipril | HA1E | trt_cp | down | -0.2665285 | 0.0079852 | 0.0957886 | -1.0498681 | -87.77332 | 2241 | -0.8640743 | 100 | 100 | ACE; BDKRB1 | ACE inhibitor | 5362129 |
| BRD-K78716413 | HA1E | trt_cp | down | -0.2639323 | 0.0099400 | 0.1130976 | -1.0396419 | -73.49398 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 952391 |
| isamoltane | HA1E | trt_cp | down | -0.2638671 | 0.0099400 | 0.1130976 | -1.0393848 | -85.31905 | 2241 | -0.9681760 | 100 | 100 | NA | NA | 127404 |
| ibuprofen-(S) | HA1E | trt_cp | down | -0.2638358 | 0.0099400 | 0.1130976 | -1.0392617 | -69.92414 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 39912 |
| BRD-K35790918 | HA1E | trt_cp | down | -0.2628377 | 0.0106731 | 0.1191669 | -1.0353303 | -81.74922 | 2241 | -0.0201702 | 100 | 100 | NA | NA | 44142086 |
| benzbromarone | HA1E | trt_cp | down | -0.2626466 | 0.0106731 | 0.1191669 | -1.0345772 | -76.79607 | 2241 | -0.0175001 | 100 | 100 | ABCC1; CYP2C9; SLC22A12 | Chloride channel blocker | 2333 |
| nadolol | HA1E | trt_cp | down | -0.2613767 | 0.0122900 | 0.1329881 | -1.0295751 | -73.67247 | 2241 | -0.9797385 | 100 | 100 | ADRB1; ADRB2; ADRB3 | Adrenergic receptor antagonist | 39147 |
| azacyclonol | HA1E | trt_cp | down | -0.2591518 | 0.0141064 | 0.1478394 | -1.0208113 | -74.07407 | 2241 | 0.0000000 | 100 | 100 | HRH1 | Histamine receptor antagonist | 15723 |
| SA-1459020 | NKDBA | trt_cp | down | -0.2581065 | 0.0150962 | 0.1559711 | -1.1279419 | NA | 229 | 0.0000000 | 100 | 100 | NA | NA | 54657758 |
| mephenytoin | HA1E | trt_cp | down | -0.2575930 | 0.0150962 | 0.1559711 | -1.0146710 | -73.53860 | 2241 | 0.0000000 | 100 | 100 | NR1I2; SCN5A | Hydantoin antiepileptic | 4060 |
| BRD-K22006123 | HA1E | trt_cp | down | -0.2571970 | 0.0161437 | 0.1643551 | -1.0131111 | -64.74788 | 2241 | -0.0169914 | 100 | 100 | NA | NA | 24747212 |
| ingenol | NKDBA | trt_cp | down | -0.2567362 | 0.0161437 | 0.1643551 | -1.1219535 | NA | 229 | 1.3327851 | 100 | 100 | PRKCE | PKC activator | 5225086 |
| gavestinel | HA1E | trt_cp | down | -0.2565804 | 0.0161437 | 0.1643551 | -1.0106822 | -70.32575 | 2241 | -1.0115660 | 100 | 100 | GLRB; GRIN1; GRIN2A; GRIN2B; GRIN2C; GRIN2D; GRIN3A; GRIN3B | Glutamate receptor antagonist | 6450546 |
| fluoxetine | HA1E | trt_cp | down | -0.2549330 | 0.0184416 | 0.1830059 | -1.0041933 | -70.95047 | 2241 | 0.0000000 | 100 | 100 | ANO1; CHRNA2; CHRNA3; CHRNB4; CKS1B; CYP2C9; HTR2B; KCNH2; SLC6A4 | Selective serotonin reuptake inhibitor (SSRI) | 3386 |
| BRD-A98200599 | HA1E | trt_cp | down | -0.2548393 | 0.0184416 | 0.1830059 | -1.0038239 | -68.45158 | 2241 | 0.8360076 | 100 | 100 | NA | NA | 570188 |
| m-3M3FBS | HA1E | trt_cp | down | -0.2545496 | 0.0184416 | 0.1830059 | -1.0026828 | -73.40473 | 2241 | -0.0190523 | 100 | 100 | PLCB2; PLCB3; PLCD1; PLCG1; PLCG2 | NA | 761523 |
| L-152804 | HA1E | trt_cp | down | -0.2533643 | 0.0210094 | 0.2026674 | -0.9980139 | -74.38643 | 2241 | 0.0299340 | 100 | 100 | NPY5R | Neuropeptide receptor antagonist | 3765615 |
| phenamil | HA1E | trt_cp | down | -0.2530519 | 0.0210094 | 0.2026674 | -0.9967832 | -76.57296 | 2241 | 0.0000000 | 100 | 100 | PKD2L1 | TRPV antagonist | 135403792 |
| fluperlapine | HA1E | trt_cp | down | -0.2530496 | 0.0210094 | 0.2026674 | -0.9967743 | -74.74342 | 2241 | 0.0000000 | 100 | 100 | HTR6; HTR7 | Serotonin receptor antagonist | 49381 |
| thalidomide | HA1E | trt_cp | down | -0.2525612 | 0.0210094 | 0.2026674 | -0.9948506 | -61.53503 | 2241 | 0.0000000 | 100 | 100 | CRBN; CYP1A2; CYP2B6; CYP3A5; DDB1; FGF2; FGFR2; IL10; NFKB1; ORM1; ORM2; TNF; VEGFA | TNF production inhibitor | 5426 |
| formestane | HA1E | trt_cp | down | -0.2516842 | 0.0223871 | 0.2127860 | -0.9913957 | -50.02231 | 2241 | 0.0000000 | 100 | 100 | CYP19A1 | Aromatase inhibitor | 44511091 |
| mead-ethanolamide | HA1E | trt_cp | down | -0.2511724 | 0.0238390 | 0.2233076 | -0.9893800 | -70.05801 | 2241 | 0.0000000 | 100 | 100 | NA | Cannabinoid receptor agonist | 16061185 |
| napelline | HA1E | trt_cp | down | -0.2506752 | 0.0238390 | 0.2233076 | -0.9874215 | -53.90451 | 2241 | -0.9893841 | 100 | 100 | NA | NA | 441749 |
| hexylresorcinol | HA1E | trt_cp | down | -0.2495058 | 0.0253670 | 0.2342779 | -0.9828151 | -75.50201 | 2241 | 0.0000000 | 100 | 100 | TGM2; TOP1; TYR | Local anesthetic | 3610 |
| trifluoperazine | HA1E | trt_cp | down | -0.2489444 | 0.0269838 | 0.2446862 | -0.9806036 | -62.29362 | 2241 | -0.5453392 | 100 | 100 | ABCG2; ADCY10; ADRA1A; ANXA7; CALM1; CALM2; CALM3; CALY; CAMK2A; DHCR24; DRD4; EBP; EBPL; HRH1; MYLK3; S100A4; SCN4A; SCN9A; SEC23IP; TNNC1 | Dopamine receptor antagonist | 5566 |
| metergoline | HA1E | trt_cp | down | -0.2486521 | 0.0269838 | 0.2446862 | -0.9794524 | -64.39090 | 2241 | 0.0000000 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A | Dopamine receptor agonist; Serotonin receptor antagonist | 28693 |
| cinanserin | HA1E | trt_cp | down | -0.2477936 | 0.0286771 | 0.2570983 | -0.9760707 | -65.28336 | 2241 | 0.0000000 | 100 | 100 | NA | Serotonin receptor antagonist | 5475158 |
| rosuvastatin | HA1E | trt_cp | down | -0.2475109 | 0.0286771 | 0.2570983 | -0.9749571 | -51.22713 | 2241 | 0.0000000 | 100 | 100 | APOB; CRP; HMGCR; SLCO1B1 | HMGCR inhibitor | 446157 |
| BRD-K19433082 | HA1E | trt_cp | down | -0.2467438 | 0.0304564 | 0.2686991 | -0.9719354 | -61.13342 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1999882 |
| ergometrine | HA1E | trt_cp | down | -0.2460977 | 0.0323254 | 0.2815131 | -0.9693905 | -44.57831 | 2241 | 0.0000000 | 100 | 100 | ADRA1A; HTR1E | Adrenergic receptor agonist; Serotonin receptor agonist | 3250 |
| beta-CCP | HA1E | trt_cp | down | -0.2459065 | 0.0323254 | 0.2815131 | -0.9686373 | -67.91611 | 2241 | 0.0000000 | 100 | 100 | GABRG2; IDO1 | Indoleamine 2,3-dioxygenase inhibitor | 123662 |
| SANT-1 | HA1E | trt_cp | down | -0.2457189 | 0.0323254 | 0.2815131 | -0.9678985 | -58.14369 | 2241 | -0.0267980 | 100 | 100 | DHH; IHH; PTCH1; SMO | Smoothened receptor antagonist | 6878030 |
| phenylalanyltyrosine | HA1E | trt_cp | down | -0.2452944 | 0.0342699 | 0.2938264 | -0.9662260 | -64.21241 | 2241 | -0.9488708 | 100 | 100 | NA | NA | 515709 |
| BRD-K00640357 | HA1E | trt_cp | down | -0.2451780 | 0.0342699 | 0.2938264 | -0.9657675 | -53.32441 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 2941340 |
| purmorphamine | HA1E | trt_cp | down | -0.2449103 | 0.0342699 | 0.2938264 | -0.9647133 | -60.06247 | 2241 | 0.0000000 | 100 | 100 | DHH; IHH; PTCH1; SMO | Smoothened receptor agonist | 5284329 |
| benzoxiquine | HA1E | trt_cp | down | -0.2433243 | 0.0384309 | 0.3144514 | -0.9584659 | -63.94467 | 2241 | 0.0000000 | 100 | 100 | NA | Anti-infective | 6855 |
| dihydrodeoxygedunin | HA1E | trt_cp | down | -0.2430582 | 0.0384309 | 0.3144514 | -0.9574177 | -53.05667 | 2241 | -0.0191484 | 100 | 100 | NTRK2 | Growth factor receptor activator | 6708636 |
| BRD-K00863322 | HA1E | trt_cp | down | -0.2430488 | 0.0384309 | 0.3144514 | -0.9573807 | -73.00312 | 2241 | 0.0193688 | 100 | 100 | NA | NA | 4675130 |
| XE-991 | HA1E | trt_cp | down | -0.2422225 | 0.0406627 | 0.3144514 | -0.9541257 | -52.96743 | 2241 | 0.0000000 | 100 | 100 | KCNQ1; KCNQ2; KCNQ3; KCNQ4; KCNQ5 | Potassium channel blocker | 656732 |
| hyoscyamine | HA1E | trt_cp | down | -0.2419061 | 0.0406627 | 0.3144514 | -0.9528796 | -46.18474 | 2241 | -0.2235319 | 100 | 100 | CHRM1; CHRM4 | Acetylcholine receptor antagonist | 154417 |
| BRD-K44878494 | HA1E | trt_cp | down | -0.2418530 | 0.0406627 | 0.3144514 | -0.9526704 | -68.04998 | 2241 | -0.0172087 | 100 | 100 | NA | NA | 24747232 |
| BRD-K22587354 | HA1E | trt_cp | down | -0.2418296 | 0.0406627 | 0.3144514 | -0.9525784 | -80.36591 | 2241 | -0.5621429 | 100 | 100 | NA | NA | 71576776 |
| JTE-013 | HA1E | trt_cp | down | -0.2418165 | 0.0406627 | 0.3144514 | -0.9525267 | -69.07631 | 2241 | -0.7452711 | 100 | 100 | P2RY10; S1PR2 | Lysophospholipid receptor antagonist | 10223146 |
| 6-benzylaminopurine | HA1E | trt_cp | down | -0.2412134 | 0.0429869 | 0.3144514 | -0.9501508 | -62.82909 | 2241 | -0.0190030 | 100 | 100 | NA | Purinergic receptor activator | 62389 |
| sonidegib | HA1E | trt_cp | down | -0.2403316 | 0.0454073 | 0.3144514 | -0.9466773 | -69.87952 | 2241 | -0.5220475 | 100 | 100 | SMO | NA | 24775005 |
| AZD-8055 | HA1E | trt_cp | down | -0.2400072 | 0.0454073 | 0.3144514 | -0.9453998 | -62.11513 | 2241 | 0.0000000 | 100 | 100 | MTOR | MTOR inhibitor | 25262965 |
| SA-427604 | NKDBA | trt_cp | down | -0.2398731 | 0.0454073 | 0.3144514 | -1.0482606 | NA | 229 | -0.7023346 | 100 | 100 | NA | NA | 44620034 |
| BRD-K48974000 | HA1E | trt_cp | down | -0.2398066 | 0.0454073 | 0.3144514 | -0.9446096 | -58.81303 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1398345 |
| LFM-A13 | HA1E | trt_cp | down | -0.2393452 | 0.0479389 | 0.3144514 | -0.9427920 | -62.24900 | 2241 | 0.0000000 | 100 | 100 | BTK | BTK inhibitor | 9906875 |
| evoxine | HA1E | trt_cp | down | -0.2389327 | 0.0479389 | 0.3144514 | -0.9411673 | -55.24320 | 2241 | 0.0000000 | 100 | 100 | NA | Furoquinoline alkaloid | 673465 |
| BRD-K06956503 | HA1E | trt_cp | down | -0.2383153 | 0.0505539 | 0.3144514 | -0.9387351 | -59.12539 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44820570 |
| SA-419083 | NKDBA | trt_cp | down | -0.2380175 | 0.0505539 | 0.3144514 | -1.0401518 | NA | 229 | 0.0000000 | 100 | 100 | NA | NA | 44505047 |
| meclizine | HA1E | trt_cp | down | -0.2375315 | 0.0505539 | 0.3144514 | -0.9356478 | -63.18608 | 2241 | 0.0000000 | 100 | 100 | NR1I3 | NA | 92303 |
| BRD-K42867405 | HA1E | trt_cp | down | -0.2372776 | 0.0532625 | 0.3144514 | -0.9346476 | -60.15172 | 2241 | -0.0186930 | 100 | 100 | NA | NA | 2482839 |
| pifithrin-mu | HA1E | trt_cp | down | -0.2367949 | 0.0532625 | 0.3144514 | -0.9327464 | -48.54975 | 2241 | 0.0000000 | 100 | 100 | HSPA1A; TP53 | HSP inhibitor | 327653 |
| AMN-082 | HA1E | trt_cp | down | -0.2361159 | 0.0560729 | 0.3144514 | -0.9300718 | -43.64123 | 2241 | 0.0000000 | 100 | 100 | GRM7 | Glutamate receptor modulator; Glutamate receptor positive allosteric modulator | 1894361 |
| eicosadienoic-acid | HA1E | trt_cp | down | -0.2345415 | 0.0589969 | 0.3144514 | -0.9238700 | -71.75368 | 2241 | -0.0184774 | 100 | 100 | NA | NA | 6439848 |
| mefexamide | HA1E | trt_cp | down | -0.2342915 | 0.0620255 | 0.3144514 | -0.9228852 | -48.68362 | 2241 | -0.0268487 | 100 | 100 | NA | Psychoactive drug | 4045 |
| IBC-293 | HA1E | trt_cp | down | -0.2336145 | 0.0620255 | 0.3144514 | -0.9202184 | -58.94690 | 2241 | 0.0000000 | 100 | 100 | HCAR3 | Hydroxycarboxylic acid receptor agonist | 2736690 |
| fipronil | HA1E | trt_cp | down | -0.2334642 | 0.0651636 | 0.3144514 | -0.9196266 | -67.02365 | 2241 | 0.0000000 | 100 | 100 | GABRB3 | Chloride channel blocker; GABA gated chloride channel blocker | 3352 |
| digoxigenin | HA1E | trt_cp | down | -0.2333730 | 0.0651636 | 0.3144514 | -0.9192672 | -53.05667 | 2241 | -0.0275780 | 100 | 100 | ATP1A1 | Steroid | 15478 |
| serdemetan | HA1E | trt_cp | down | -0.2332434 | 0.0651636 | 0.3144514 | -0.9187566 | -50.20080 | 2241 | 0.0000000 | 100 | 100 | MDM2 | MDM inhibitor | 60167550 |
| clomipramine | HA1E | trt_cp | down | -0.2327429 | 0.0651636 | 0.3144514 | -0.9167853 | -54.35074 | 2241 | 0.0000000 | 100 | 100 | HTR2B; SLC6A2; SLC6A3; SLC6A4 | Serotonin transporter inhibitor (SERT) | 2801 |
| BRD-K07668032 | HA1E | trt_cp | down | -0.2322487 | 0.0684082 | 0.3144514 | -0.9148387 | -51.94110 | 2241 | 0.0201934 | 100 | 100 | NA | NA | 3234850 |
| adipiodone | HA1E | trt_cp | down | -0.2314545 | 0.0717490 | 0.3144514 | -0.9117104 | -54.88621 | 2241 | 0.0000000 | 100 | 100 | ALB | Contrast agent | 3739 |
| BRD-K99737413 | HA1E | trt_cp | down | -0.2312035 | 0.0717490 | 0.3144514 | -0.9107213 | -71.44132 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44607577 |
| L-803087 | HA1E | trt_cp | down | -0.2311271 | 0.0717490 | 0.3144514 | -0.9104207 | -73.89558 | 2241 | 0.0000000 | 100 | 100 | SSTR4 | Somatostatin receptor agonist | 9805390 |
| BRD-K87964538 | HA1E | trt_cp | down | -0.2311171 | 0.0717490 | 0.3144514 | -0.9103813 | -62.91834 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 665518 |
| temefos | HA1E | trt_cp | down | -0.2303000 | 0.0751866 | 0.3144514 | -0.9071626 | -50.60241 | 2241 | 0.0000000 | 100 | 100 | NA | Cholinesterase inhibitor | 5392 |
| methoxsalen | HA1E | trt_cp | down | -0.2302008 | 0.0751866 | 0.3144514 | -0.9067717 | -66.97903 | 2241 | -0.0129298 | 100 | 100 | ACHE; CYP1A2 | DNA synthesis inhibitor | 4114 |
| luzindole | HA1E | trt_cp | down | -0.2298982 | 0.0751866 | 0.3144514 | -0.9055800 | -60.24096 | 2241 | 0.0000000 | 100 | 100 | MTNR1A; MTNR1B | Melatonin receptor antagonist | 122162 |
| PCO-400 | HA1E | trt_cp | down | -0.2297113 | 0.0751866 | 0.3144514 | -0.9048434 | -57.02811 | 2241 | 0.0000000 | 100 | 100 | ABCC9; KCNJ8 | Potassium channel activator | 129348 |
| BRD-K45355657 | HA1E | trt_cp | down | -0.2294729 | 0.0787550 | 0.3144514 | -0.9039046 | -43.64123 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 23648024 |
| KN-93 | HA1E | trt_cp | down | -0.2282534 | 0.0823825 | 0.3144514 | -0.8991007 | -49.93307 | 2241 | 0.0000000 | 100 | 100 | CAMK2A | Calcium-calmodulin dependent protein kinase inhibitor | 5312122 |
| LY-456236 | HA1E | trt_cp | down | -0.2264400 | 0.0899926 | 0.3144514 | -0.8919577 | -60.10710 | 2241 | -0.5402817 | 100 | 100 | GRM1 | Glutamate receptor antagonist | 9926999 |
| alfadolone-acetate | HA1E | trt_cp | down | -0.2259242 | 0.0899926 | 0.3144514 | -0.8899260 | -60.33021 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 24733 |
| candesartan-cilextil | HA1E | trt_cp | down | -0.2244334 | 0.0979693 | 0.3144514 | -0.8840539 | -58.58992 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 2540 |
| BRD-K01121114 | HA1E | trt_cp | down | -0.2244025 | 0.0979693 | 0.3144514 | -0.8839322 | -54.03838 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 49843203 |
| SKF-86002 | HA1E | trt_cp | down | -0.2243121 | 0.0979693 | 0.3144514 | -0.8835757 | -44.22133 | 2241 | 0.0000000 | 100 | 100 | ALOX5; MAPK14 | p38 MAPK inhibitor | 5228 |
| SIB-1893 | HA1E | trt_cp | down | -0.2231508 | 0.1020951 | 0.3144514 | -0.8790017 | -57.25123 | 2241 | 0.3244294 | 100 | 100 | GRM4; GRM5 | Glutamate receptor antagonist | 5311432 |
| DAPT-GSI-IX | HA1E | trt_cp | down | -0.2220688 | 0.1063172 | 0.3144514 | -0.8747395 | -52.25346 | 2241 | 0.0000000 | 100 | 100 | NA | Gamma secretase inhibitor | NotFound |
| BRD-K28366444 | HA1E | trt_cp | down | -0.2218061 | 0.1063172 | 0.3144514 | -0.8737047 | -66.80054 | 2241 | -0.0174741 | 100 | 100 | NA | NA | 3234518 |
| dicyclohexylurea | HA1E | trt_cp | down | -0.2215240 | 0.1063172 | 0.3144514 | -0.8725936 | -47.21107 | 2241 | -0.9256587 | 100 | 100 | EPHX2 | Epoxide hydolase inhibitor | 4277 |
| BRD-K77432048 | HA1E | trt_cp | down | -0.2213094 | 0.1106222 | 0.3144514 | -0.8717480 | -36.63543 | 2241 | -1.0116209 | 100 | 100 | NA | NA | 704129 |
| rimcazole | HA1E | trt_cp | down | -0.2212547 | 0.1106222 | 0.3144514 | -0.8715326 | -49.26372 | 2241 | 0.0000000 | 100 | 100 | SIGMAR1 | Sigma receptor antagonist | 5072 |
| benzanthrone | HA1E | trt_cp | down | -0.2201718 | 0.1150293 | 0.3144514 | -0.8672672 | -49.62071 | 2241 | -0.0086727 | 100 | 100 | NA | Aromatic hydrocarbon derivative | 6697 |
| BRD-K27074404 | HA1E | trt_cp | down | -0.2197446 | 0.1150293 | 0.3144514 | -0.8655843 | -59.57162 | 2241 | -0.6659843 | 100 | 100 | NA | NA | 7211972 |
| AS-605240 | HA1E | trt_cp | down | -0.2190472 | 0.1195050 | 0.3144514 | -0.8628373 | -33.95805 | 2241 | -0.8008980 | 100 | 100 | MAOB; PIK3CA; PIK3CB; PIK3CD; PIK3CG | PI3K inhibitor | 10377751 |
| SA-96816 | NKDBA | trt_cp | down | -0.2189733 | 0.1195050 | 0.3144514 | -0.9569272 | NA | 229 | -0.6411412 | 100 | 100 | NA | NA | 44494782 |
| hydrocotarnine | HA1E | trt_cp | down | -0.2188820 | 0.1195050 | 0.3144514 | -0.8621865 | -50.95939 | 2241 | -0.0172437 | 100 | 100 | NA | Opioid receptor antagonist | 3646 |
| laudanosine | HA1E | trt_cp | down | -0.2181108 | 0.1240573 | 0.3144514 | -0.8591487 | -51.40562 | 2241 | -0.0171830 | 100 | 100 | NA | Central nervous system agent | 15548 |
| fludroxycortide | HA1E | trt_cp | down | -0.2178648 | 0.1240573 | 0.3144514 | -0.8581798 | -49.79920 | 2241 | -0.8323914 | 100 | 100 | NR3C1; SERPINA6 | Glucocorticoid receptor agonist | 5702172 |
| BRD-K18953385 | HA1E | trt_cp | down | -0.2172959 | 0.1286736 | 0.3144514 | -0.8559389 | -55.77867 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 2160985 |
| BRD-K93975822 | HA1E | trt_cp | down | -0.2169055 | 0.1286736 | 0.3144514 | -0.8544010 | -49.04061 | 2241 | 0.0136580 | 100 | 100 | NA | NA | 44142065 |
| SC-560 | HA1E | trt_cp | down | -0.2160527 | 0.1333588 | 0.3144514 | -0.8510417 | -42.97189 | 2241 | 0.0000000 | 100 | 100 | NA | Cyclooxygenase inhibitor | 4306515 |
| delcorine | HA1E | trt_cp | down | -0.2148330 | 0.1381184 | 0.3144514 | -0.8462375 | -36.54618 | 2241 | -0.7021357 | 100 | 100 | NA | Antiarrhythmic; Ganglionic blocker | 441724 |
| BRD-K32862555 | HA1E | trt_cp | down | -0.2145686 | 0.1381184 | 0.3144514 | -0.8451959 | -46.89871 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1580719 |
| tropicamide | HA1E | trt_cp | down | -0.2145257 | 0.1381184 | 0.3144514 | -0.8450269 | -48.19277 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRM4 | Acetylcholine receptor antagonist | 5593 |
| PK-11195 | HA1E | trt_cp | down | -0.2133460 | 0.1477536 | 0.3144514 | -0.8403798 | -32.93173 | 2241 | 0.0000000 | 100 | 100 | NR1I2; NR1I3; TSPO | Benzodiazepine receptor antagonist | 1345 |
| ditolylguanidine | HA1E | trt_cp | down | -0.2130770 | 0.1477536 | 0.3144514 | -0.8393202 | -38.91120 | 2241 | 0.0000000 | 100 | 100 | GRIN1; GRIN2A; GRIN2B; SIGMAR1 | Sigma receptor agonist | 7333 |
| BRD-K25522720 | HA1E | trt_cp | down | -0.2125161 | 0.1477536 | 0.3144514 | -0.8371108 | -43.77510 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 1400698 |
| altanserin | HA1E | trt_cp | down | -0.2121258 | 0.1526432 | 0.3144514 | -0.8355736 | -43.99822 | 2241 | 0.0000000 | 100 | 100 | NA | Serotonin receptor antagonist | 3033677 |
| MAPP-D-erythro | HA1E | trt_cp | down | -0.2120605 | 0.1526432 | 0.3144514 | -0.8353163 | -46.31861 | 2241 | 0.0000000 | 100 | 100 | NA | Ceramidase inhibitor | 124735 |
| BRD-K03552198 | HA1E | trt_cp | down | -0.2098180 | 0.1625104 | 0.3144514 | -0.8264832 | -46.76484 | 2241 | -0.0165297 | 100 | 100 | NA | NA | 1562008 |
| AM-92016 | HA1E | trt_cp | down | -0.2093358 | 0.1674784 | 0.3144514 | -0.8245837 | -35.25212 | 2241 | 0.0000000 | 100 | 100 | GRIN1; GRIN2B | Potassium channel blocker | 133104 |
| benzamil | HA1E | trt_cp | down | -0.2087232 | 0.1674784 | 0.3144514 | -0.8221704 | -33.91343 | 2241 | 0.0000000 | 100 | 100 | ASIC1; PKD2L1; SCNN1A; SCNN1B; SCNN1D; SCNN1G; SLC8A1 | Sodium channel blocker | 108107 |
| GW-6471 | HA1E | trt_cp | down | -0.2084691 | 0.1724645 | 0.3144514 | -0.8211697 | -45.87238 | 2241 | 0.0000000 | 100 | 100 | PPARA | PPAR receptor antagonist | 44634742 |
| BRD-A43126523 | HA1E | trt_cp | down | -0.2083079 | 0.1724645 | 0.3144514 | -0.8205348 | -36.50156 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44142346 |
| diclofenamide | HA1E | trt_cp | down | -0.2075989 | 0.1724645 | 0.3144514 | -0.8177420 | -39.58054 | 2241 | -0.0245323 | 100 | 100 | CA1; CA12; CA3; CA4; CA7 | Carbonic anhydrase inhibitor | 3038 |
| strychnine | HA1E | trt_cp | down | -0.2069704 | 0.1774600 | 0.3144514 | -0.8152661 | -46.36323 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRM4; CHRM5; CHRNA10; CHRNA9; GLRA1; GLRA2; GLRA3; GLRB | Acetylcholine receptor antagonist | 441071 |
| BRD-K05153001 | HA1E | trt_cp | down | -0.2060520 | 0.1824439 | 0.3144514 | -0.8116484 | -34.40428 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 665013 |
| carbofuran | HA1E | trt_cp | down | -0.2058178 | 0.1824439 | 0.3144514 | -0.8107260 | -38.37573 | 2241 | -0.0239840 | 100 | 100 | NA | Cholinesterase inhibitor | 2566 |
| isonicotinohydroxamic-acid | HA1E | trt_cp | down | -0.2056327 | 0.1824439 | 0.3144514 | -0.8099969 | -55.06470 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 72967 |
| Ro-04-6790 | HA1E | trt_cp | down | -0.2049645 | 0.1874233 | 0.3144514 | -0.8073648 | -33.02097 | 2241 | 0.0000000 | 100 | 100 | HTR6 | Serotonin receptor antagonist | 5312145 |
| tyrphostin-AG-556 | HA1E | trt_cp | down | -0.2040288 | 0.1923823 | 0.3144514 | -0.8036791 | -30.92369 | 2241 | 0.0254158 | 100 | 100 | EGFR | EGFR inhibitor | 2059 |
| vanoxerine | HA1E | trt_cp | down | -0.2024406 | 0.2022059 | 0.3144514 | -0.7974231 | -38.64346 | 2241 | 0.0000000 | 100 | 100 | MAOA; MAOB; SLC6A3 | Dopamine uptake inhibitor | 10238982 |
| SA-1458163 | NKDBA | trt_cp | down | -0.2024374 | 0.2022059 | 0.3144514 | -0.8846642 | NA | 229 | -0.5927250 | 100 | 100 | NA | NA | 54658692 |
| BRD-K27440500 | HA1E | trt_cp | down | -0.2023484 | 0.2022059 | 0.3144514 | -0.7970598 | -46.09549 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 44142064 |
| diphenidol | HA1E | trt_cp | down | -0.2016603 | 0.2022059 | 0.3144514 | -0.7943492 | -37.30477 | 2241 | 0.0000000 | 100 | 100 | CHRM1; CHRM4 | Acetylcholine receptor agonist | 3055 |
| CFM-1571 | HA1E | trt_cp | down | -0.2010392 | 0.2070626 | 0.3144514 | -0.7919030 | -40.87461 | 2241 | 0.0000000 | 100 | 100 | NA | Guanylate cyclase activator | 9844347 |
| BRD-A25829966 | HA1E | trt_cp | down | -0.1984848 | 0.2213004 | 0.3144514 | -0.7818408 | -45.02454 | 2241 | -0.7839504 | 100 | 100 | NA | NA | 44537690 |
| PI-828 | HA1E | trt_cp | down | -0.1978756 | 0.2213004 | 0.3144514 | -0.7794413 | -33.86881 | 2241 | 0.0000000 | 100 | 100 | NA | PI3K inhibitor | 25181195 |
| zacopride | HA1E | trt_cp | down | -0.1972081 | 0.2259079 | 0.3144514 | -0.7768120 | -38.95582 | 2241 | -0.7601136 | 100 | 100 | HTR3A; HTR3B; HTR3C; HTR3D; HTR3E; HTR4; HTR5A | Serotonin receptor antagonist | 108182 |
| O-1918 | HA1E | trt_cp | down | -0.1965348 | 0.2259079 | 0.3144514 | -0.7741600 | -32.35163 | 2241 | 0.0244772 | 100 | 100 | NA | Cannabinoid receptor antagonist | 40469923 |
| BRD-K85051645 | HA1E | trt_cp | down | -0.1959166 | 0.2304177 | 0.3144514 | -0.7717246 | -40.29451 | 2241 | -0.0154345 | 100 | 100 | NA | NA | 56643193 |
| tyrphostin-AG-538 | HA1E | trt_cp | down | -0.1956866 | 0.2304177 | 0.3144514 | -0.7708189 | -35.60910 | 2241 | 0.0000000 | 100 | 100 | EGFR | IGF-1 inhibitor | 5328760 |
| nitrendipine | HA1E | trt_cp | down | -0.1953174 | 0.2348545 | 0.3144514 | -0.7693646 | -40.20527 | 2241 | 0.0000000 | 100 | 100 | CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 | Calcium channel blocker | 4507 |
| BRD-K70229243 | HA1E | trt_cp | down | -0.1950200 | 0.2348545 | 0.3144514 | -0.7681929 | -35.60910 | 2241 | -0.0153639 | 100 | 100 | NA | NA | 24747148 |
| BRL-50481 | HA1E | trt_cp | down | -0.1938691 | 0.2391936 | 0.3144514 | -0.7636596 | -35.78759 | 2241 | 0.0000000 | 100 | 100 | PDE7A; PDE7B | Phosphodiesterase inhibitor | 2921148 |
| brefeldin-a | HA1E | trt_cp | down | -0.1937467 | 0.2391936 | 0.3144514 | -0.7631774 | -32.21776 | 2241 | 0.0000000 | 100 | 100 | ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A | Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor | 5287620 |
| BRD-K24925364 | HA1E | trt_cp | down | -0.1936492 | 0.2391936 | 0.3144514 | -0.7627932 | -33.24409 | 2241 | -0.0152559 | 100 | 100 | NA | NA | 6622773 |
| rizatriptan | HA1E | trt_cp | down | -0.1911486 | 0.2515630 | 0.3144514 | -0.7529432 | -30.87907 | 2241 | -0.0225883 | 100 | 100 | HTR1B; HTR1D; HTR1E; HTR1F | Serotonin receptor agonist | 5078 |
| PQ-401 | HA1E | trt_cp | down | -0.1901357 | 0.2554585 | 0.3144514 | -0.7489533 | -27.71084 | 2241 | 0.0000000 | 100 | 100 | IGF1R | IGF-1 inhibitor; IGF-1R inhibitor | 9549305 |
| GR-144053 | HA1E | trt_cp | down | -0.1887920 | 0.2592165 | 0.3144514 | -0.7436605 | -48.90674 | 2241 | 0.0000000 | 100 | 100 | ITGA2B; ITGB3 | Integrin antagonist | 173614 |
| HA-1004 | HA1E | trt_cp | down | -0.1882436 | 0.2628384 | 0.3144514 | -0.7415005 | -28.96029 | 2241 | 0.0000000 | 100 | 100 | NA | Calcium channel blocker | 3546 |
| LY-294002 | NKDBA | trt_cp | down | -0.1876634 | 0.2628384 | 0.3144514 | -0.8201008 | NA | 229 | 0.0000000 | 100 | 100 | AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1 | DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor | 3973 |
| RS-102895 | HA1E | trt_cp | down | -0.1873888 | 0.2663461 | 0.3144514 | -0.7381334 | -36.76930 | 2241 | -0.7424765 | 100 | 100 | CCR2 | CCR antagonist | 10000456 |
| docosatrienoic-acid | HA1E | trt_cp | down | -0.1872494 | 0.2663461 | 0.3144514 | -0.7375843 | -28.78179 | 2241 | 0.0000000 | 100 | 100 | NA | LTB4 inhibitor | 5312557 |
| citalopram | HA1E | trt_cp | down | -0.1864800 | 0.2697161 | 0.3144514 | -0.7345534 | -38.37573 | 2241 | -0.0146911 | 100 | 100 | SLC6A2; SLC6A4 | Serotonin reuptake inhibitor | 2771 |
| hydrastine-(1r,-9s) | HA1E | trt_cp | down | -0.1857524 | 0.2697161 | 0.3144514 | -0.7316875 | -32.30701 | 2241 | 0.0000000 | 100 | 100 | NA | NA | 197834 |
| FR-122047 | HA1E | trt_cp | down | -0.1823041 | 0.2817278 | 0.3144514 | -0.7181044 | -30.34360 | 2241 | 0.0000000 | 100 | 100 | NA | Cyclooxygenase inhibitor | 196841 |
| BRD-A56831909 | HA1E | trt_cp | down | -0.1782509 | 0.2914100 | 0.3144514 | -0.7021386 | -30.87907 | 2241 | 0.0158697 | 100 | 100 | NA | NA | 44142078 |
| BRD-K63770300 | HA1E | trt_cp | down | -0.1708429 | 0.3031937 | 0.3144514 | -0.6729583 | -28.64793 | 2241 | -0.0134592 | 100 | 100 | NA | NA | 56643207 |
| olvanil | HA1E | trt_cp | down | -0.1698208 | 0.3043983 | 0.3144514 | -0.6689323 | -22.35609 | 2241 | 0.0000000 | 100 | 100 | CNR1; GPR119; TRPV1 | TRPV agonist | 5808649 |
| asiatic-acid | HA1E | trt_cp | down | -0.1663803 | 0.3082453 | 0.3144514 | -0.6553800 | -30.03124 | 2241 | 0.0000000 | 100 | 100 | PYGM | Apoptosis stimulant | 119034 |
Save gess and filtered gess result
Dimensions
dim(gess_kidneycells_39)
## [1] 328 16
dim(gess_kidneycells_56)
## [1] 316 16
dim(gess_kidneycells_19)
## [1] 230 16
Drug overlaps
overlap_39_56 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_56$pert)
overlap_39_19 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_19$pert)
overlap_56_19 <- dplyr::intersect(gess_kidneycells_56$pert, gess_kidneycells_19$pert)
Number of drug overlaps
length(overlap_39_56)
## [1] 68
length(overlap_39_19)
## [1] 53
length(overlap_56_19)
## [1] 102
bggenes <- read.csv(file = here("data", "background_genelist_genestoLINCSgenes.csv"), row.names = 1)
#KEGG enrichment based on hypergeometric test
kegg_39 <- enrichKEGG2(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)), universe = bggenes$entrezgene_id)
## Reading KEGG annotation online:
##
## Reading KEGG annotation online:
moa_39 <- enrichMOA(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)))
Target Set Enrichment Analysis. Uses target protein, cellular networks and pathways affected by the top ranking drugs
’39 TSEA
#target set enrichment analysis TSEA, looks at target proteins for the drugs and thedrug MOA's or protein family domains
tsea_GO_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:100], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 41 drugs:
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869 / brd-k67774729 / brd-k11533227 / er-27319 / fccp / cercosporin / mitomycin-c / sa-425500 / wr-216174 / brd-k07079548 / brd-k01121114 / sa-1921574 / isonicotinohydroxamic-acid / chelidonine / sa-1919877 / chlorphenesin-carbamate / sulconazole / brd-k48974000 / bl003-049-hdac3 / brd-k19876534 / brd-k26767475 / sa-427604 / sa-1920013
## Loading required package: org.Hs.eg.db
## Loading required package: AnnotationDbi
##
tsea_KEGG_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:50], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 19 drugs:
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869
dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04024", ont = "MF", desc="cAMP signaling pathway")
## No targets found in all databases for 19 drugs:
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869
dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04750", ont = "MF", desc="Inflammatory mediator regulation of TRP channels")
## No targets found in all databases for 19 drugs:
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869
Save TSEA tables
’56 TSEA
tsea_GO_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
tsea_KEGG_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0004708", ont = "MF", desc="MAP kinase kinase activity")
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0016712", ont = "MF", desc="oxidoreductase activity, acting on paired donors,")
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0005262", ont = "MF", desc="calcium channel activity")
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_KEGG_56), set = "hsa04657", desc="IL-17 signaling pathway")
## No targets found in all databases for 9 drugs:
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
Save TSEA tables
’19 TSEA
tsea_GO_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 8 drugs:
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
tsea_KEGG_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 8 drugs:
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 8 drugs:
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## Warning: Corrupt Cache: resource path
## See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
## cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
## potential duplicate files:
## addd1a0dac73_3239
## b0985fb609b3_3239
## addd77b4bf61_3240
## b09830caa124_3240
## 16e619159954_3245
## 3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 8 drugs:
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
Save TSEA tables
#####Plots TSEA
Read back in
tsea_GO_39 <- read.csv(file = here("res", "sigsearch_outputs", "tsea_go_39.csv"), row.names = 1)
dsea_39 <- dsea_hyperG(
drugs = gess_kidneycells_39$pert[1:100],
type = "GO",
ont = "MF",
pvalueCutoff = 0.05,
pAdjustMethod = "BH",
qvalueCutoff = 0.2,
minGSSize = 10,
maxGSSize = 500
)
write.csv(dsea_39@result, file = here("res", "sigsearch_outputs", "dsea_39.csv"))
dsea_39 <- read.csv(file = here("res", "sigsearch_outputs", "dsea_39.csv"))
LINCS Drug Repurposing Hub, contains drug names, MOAs, original indications, and targets
repurpHub <- read.delim(here("data", "Repurposing_Hub_export.txt"))
rHub_19 <- dplyr::inner_join(gess_kidneycells_19, repurpHub, by= c("pert" = "Name"))
rHub_56 <- dplyr::inner_join(gess_kidneycells_56, repurpHub, by= c("pert" = "Name"))
rHub_39 <- dplyr::inner_join(gess_kidneycells_39, repurpHub, by= c("pert" = "Name"))
P70/’39 Already-Launched Drugs
rhub_launched_39 <- dplyr::filter(rHub_39, Phase == "Launched")
write.csv(rhub_launched_39, file = here("res", "sigsearch_outputs", "rhub_launcheddrugs_39.csv"))
Alluvial plot of drugs-targets with just launched drugs
rhub_launched_39_top30 <- dplyr::slice_min(rhub_launched_39, order_by = Tau, n = 20)
rhub_launched_39_top_septarget <- tidyr::separate_rows(rhub_launched_39_top30, Target, sep = ", ")
#remove drugs with empty 'target' field
rhub_launched_39_top_septarget <- dplyr::filter(rhub_launched_39_top_septarget, Target != "")
plot
target_alluvial <- ggplot(data = rhub_launched_39_top_septarget,
aes(axis1 = pert, axis2 = Target)) +
geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) +
geom_stratum(width = 3/12, color = "black") + #the border of the stratum
scale_x_discrete(expand = c(.07, .07)) +
scale_y_discrete(expand = c(.007, .007)) +
scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
labs(title = "Targets of Top 20 Launched Drugs") +
theme_void()
target_alluvial
Save
MOA’s separated, string wrap labels
rhub_launched_39_top_moasep <- tidyr::separate_rows(rhub_launched_39_top30, MOA, sep = ",")
rhub_launched_39_top_moasep$MOA <- stringr::str_wrap(rhub_launched_39_top_moasep$MOA, width = 20)
rhub_launched_39_top_moasep$Disease.Area <- stringr::str_wrap(rhub_launched_39_top_moasep$Disease.Area, width = 30)
plot
moa_alluvial <- ggplot(data = rhub_launched_39_top_moasep,
aes(axis1 = pert, axis2 = MOA)) +
geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) +
geom_stratum(width = 3/12, color = "black") + #the border of the stratum
scale_x_discrete(expand = c(.07, .07)) +
scale_y_discrete(expand = c(.007, .007)) +
scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
labs(title = "MOA of Top 30 Launched Drugs") +
theme_void()
moa_alluvial
Combined repurposing hub annotated dataset drugs
rHub_19_and_56 <- merge(rHub_19, rHub_56, by = "pert")
rHub_all_inters <- merge(rHub_19_and_56, rHub_39, by = "pert")
Save
Data from onSides
adverse_reactions_bylabel - All extracted adverse reactions from the ADVERSE REACTIONS section of all labels. Each drug will have multiple labels over its lifetime (revisions, generic alternatives, etc.). This table contains the results of extracting adverse reactions from every label available for download from DailyMed. 2,764,338 rows.
label_map - Map between the xml_id (xml filename), zip_id (zip filename), and set_id (drug identifier). 45,989 rows.
reactions <- read.csv(here("data", "onsides_v01", "adverse_reactions.csv"))
reactions_unique <- unique(reactions$concept_name)
warnings <- read.csv(here("data", "onsides_v01", "boxed_warnings.csv"))
labels <- read.csv(here("data", "onsides_v01", "latest_labels_bydrug.csv"))
Looking at reactions for ‘launched’ drugs from P70/’39 results
onsides_39 <- dplyr::left_join(rhub_launched_39, labels, by = c("pert" = "ingredients"))
onsides_39 <- dplyr::left_join(onsides_39, reactions, by = c("latest_xml_id" = "xml_id"))
write.csv(onsides_39, file = here("res", "sigsearch_outputs", "adr_onsides_precystic_drugcandidates"))
R.Version()
## $platform
## [1] "x86_64-apple-darwin17.0"
##
## $arch
## [1] "x86_64"
##
## $os
## [1] "darwin17.0"
##
## $system
## [1] "x86_64, darwin17.0"
##
## $status
## [1] ""
##
## $major
## [1] "4"
##
## $minor
## [1] "2.0"
##
## $year
## [1] "2022"
##
## $month
## [1] "04"
##
## $day
## [1] "22"
##
## $`svn rev`
## [1] "82229"
##
## $language
## [1] "R"
##
## $version.string
## [1] "R version 4.2.0 (2022-04-22)"
##
## $nickname
## [1] "Vigorous Calisthenics"
installed.packages()[names(sessionInfo()$otherPkgs), "Version"]
## org.Hs.eg.db AnnotationDbi signatureSearchData
## "3.15.0" "1.58.0" "1.10.0"
## here rhdf5 ExperimentHub
## "1.0.1" "2.40.0" "2.4.0"
## AnnotationHub BiocFileCache dbplyr
## "3.4.0" "2.4.0" "2.2.1"
## readr ggalluvial ggplot2
## "2.1.2" "0.12.3" "3.3.6"
## signatureSearch SummarizedExperiment Biobase
## "1.10.0" "1.26.1" "2.56.0"
## GenomicRanges GenomeInfoDb IRanges
## "1.48.0" "1.32.2" "2.30.0"
## S4Vectors BiocGenerics MatrixGenerics
## "0.34.0" "0.42.0" "1.8.1"
## matrixStats Rcpp
## "0.62.0" "1.0.9"